Benzoic acids and derivatives

Alfa Aesar™ 2,3,4,5-Tetrafluorobenzoyl chloride, 98%

CAS: 94695-48-4 Molecular Formula: C7HClF4O Molecular Weight (g/mol): 212.528 MDL Number: MFCD00075164 InChI Key: XWCKIXLTBNGIHV-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzoylchloride, tetrafluorobenzoyl chloride, 2,3,4,5-tetrafluoro benzoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro, 2,3,4,5-tetrafluorbenzoylchlorid, 2,3,4,5-tetrafluoro-benzoyl chloride, 2,3,4,5-tetrafluorobenzoic acid chloride, 2,3,4,5-tetrafluorobezoyl chloride, benzoyl chloride, 2,3,4,5-tetrafluoro-9ci, 2,3,4,5-tetrafluorobezoylchloride PubChem CID: 2733689 IUPAC Name: 2,3,4,5-tetrafluorobenzoyl chloride SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)Cl

Alfa Aesar™ 2-Chloro-N-methylbenzamide, 97%

CAS: 3400-31-5 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD00032667 InChI Key: ITXNDDPDABTCBO-UHFFFAOYSA-N Synonym: n-methyl-2-chlorobenzamide, 2-chloro-n-methyl-benzamide, benzamide, 2-chloro-n-methyl, n-methyl-o-chlorbenzamid, 2-chlorophenyl-n-methylcarboxamide PubChem CID: 347959 IUPAC Name: 2-chloro-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1Cl

Alfa Aesar™ Methyl 2-bromo-5-methoxybenzoate, 98%

CAS: 35450-36-3 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD00051594 InChI Key: VRTQLDFCPNVQNT-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxybenzoic acid methyl ester, 2-bromo-5-methoxy-benzoic acid methyl ester, methyl-2-bromo-5-methoxybenzoate, benzoic acid, 2-bromo-5-methoxy-, methyl ester, pubchem3965, acmc-1ahhz, methyl 6-bromo-m-anisate, rarechem al bf 1111, attercop-chm at108617, methyl 2-bromo-5-methoxylbenzoate PubChem CID: 2776849 IUPAC Name: methyl 2-bromo-5-methoxybenzoate SMILES: COC1=CC(=C(C=C1)Br)C(=O)OC

Alfa Aesar™ 1-(2-Fluorobenzoyl)-4-methylpiperidine, 97%

CAS: 346719-56-0 Molecular Formula: C13H16FNO Molecular Weight (g/mol): 221.275 InChI Key: ZUOUPMRPDVWTSP-UHFFFAOYSA-N Synonym: 1-2-fluorobenzoyl-4-methylpiperidine, 2-fluorophenyl-4-methylpiperidin-1-yl methanone PubChem CID: 3572178 IUPAC Name: (2-fluorophenyl)-(4-methylpiperidin-1-yl)methanone SMILES: CC1CCN(CC1)C(=O)C2=CC=CC=C2F

Alfa Aesar™ Reserpine, 99%

CAS: 50-55-5 Molecular Formula: C33H40N2O9 Molecular Weight (g/mol): 608.688 MDL Number: MFCD00005091 InChI Key: QEVHRUUCFGRFIF-MDEJGZGSSA-N Synonym: reserpine, serpalan, serpasil, serpivite, apoplon, deserpine, elserpine, hiserpia, hypersil, raunervil PubChem CID: 5770 ChEBI: CHEBI:28487 IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

Alfa Aesar™ 4-Methoxy-3-nitrobenzoic acid, 98%

CAS: 89-41-8 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid, 3-nitro-4-methoxybenzoic acid, 3-nitro-p-anisic acid, benzoic acid, 4-methoxy-3-nitro, unii-dd71o31olz, p-anisic acid, 3-nitro, dd71o31olz, 4-methoxy-3-nitro benzoic acid, 4-methoxy-3-nitro-benzoic acid, 4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Alfa Aesar™ 2-Chloro-4-nitrobenzoyl chloride, 98%

CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro-4-nitro, benzoyl chloride,2-chloro-4-nitro, acmc-209ofu, 2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl

Alfa Aesar™ 4-Nitrophthalic acid, 97%

CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid, 5-nitrophthalic acid, 4-nitrobenzene-1,2-dicarboxylic acid, 1,2-benzenedicarboxylic acid, 4-nitro, phthalic acid, 4-nitro, 4-nitrophthalicacid, p-nitrophthalic acid, 4-nitro-phthalic acid, acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

Alfa Aesar™ 2,3-Difluoro-6-methoxybenzoic acid, 97%

CAS: 773873-26-0 Molecular Formula: C8H6F2O3 Molecular Weight (g/mol): 188.13 MDL Number: MFCD04116018 InChI Key: MMTKYWQMCSZCGW-UHFFFAOYSA-N Synonym: 2,3-difluoro-6-methoxy-benzoic acid, pubchem4940, 2,3-difluoro-6-methoxybenzoicacid, benzoic acid,2,3-difluoro-6-methoxy PubChem CID: 3861323 IUPAC Name: 2,3-difluoro-6-methoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)F)F)C(=O)O

Alfa Aesar™ (2-Carboxyphenyl)iminodiacetic acid, 96%

CAS: 1147-65-5 Molecular Formula: C11H11NO6 Molecular Weight (g/mol): 253.21 MDL Number: MFCD00021751 InChI Key: IKEUZCGOPYSHNN-UHFFFAOYSA-N Synonym: 2-bis carboxymethyl amino benzoic acid, 2-carboxyphenyl iminodiacetic acid, 2,2'-2-carboxyphenyl azanediyl diacetic acid, 2-carboxyphenyliminodiacetic acid, acmc-20appp, n-2-carboxyphenyl iminodiacetic acid, n,n-bis carboxymethyl anthranilic acid, benzoic acid, 2-bis carboxymethyl amino PubChem CID: 459325 IUPAC Name: 2-[bis(carboxymethyl)amino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)N(CC(=O)O)CC(=O)O

Alfa Aesar™ 3-Ethoxy-4-methoxybenzoic acid, 98%

CAS: 2651-55-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00276591 InChI Key: DMSAIFTWQMXOBE-UHFFFAOYSA-N Synonym: benzoic acid,3-ethoxy-4-methoxy, maybridge1_005010, 3-ethoxy-4-methoxybenzoicacid, acmc-1cqm3 PubChem CID: 2822957 IUPAC Name: 3-ethoxy-4-methoxybenzoic acid SMILES: CCOC1=C(C=CC(=C1)C(=O)O)OC

Alfa Aesar™ Methyl 3,5-dibromo-4-methylbenzoate, 98%

CAS: 74896-66-5 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.969 MDL Number: MFCD00010729 InChI Key: SRLAXDDPVYZYNI-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methylbenzoic acid methyl ester, methyl 3,5-dibromo-p-toluate, 3,5-dibromo-p-toluic acid methyl ester, pubchem4611, methyl3,5-dibromo-4-methylbenzoate, acmc-1bm25, zerenex e/9072914, methyl 3,5-dibromo-4-methyl-benzoate, methyl 3,5-bis bromanyl-4-methyl-benzoate, 2,6-dibromo-4-methoxycarbonyl toluene PubChem CID: 624016 IUPAC Name: methyl 3,5-dibromo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1Br)C(=O)OC)Br

Alfa Aesar™ Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 98%

CAS: 4093-31-6 Molecular Formula: C11H12ClNO4 Molecular Weight (g/mol): 257.67 MDL Number: MFCD00048191 InChI Key: OUEXNQRVYGYGIK-UHFFFAOYSA-N Synonym: methyl 4-acetamido-5-chloro-o-anisate, unii-3d7z5o4uxa, benzoic acid, 4-acetylamino-5-chloro-2-methoxy-, methyl ester, 3d7z5o4uxa, methyl 4-acetylamino-5-chloro-2-methoxybenzoate, methyl 5-chloro-4-acetamido-2-methoxybenzoate, 2-methoxy-4-acetylamino-5-chloro methyl benzoate, 4-acetamido-5-chloro-2-methoxybenzoic acid methyl ester, acmc-1afsv, dsstox_cid_31529 PubChem CID: 77721 IUPAC Name: methyl 4-acetamido-5-chloro-2-methoxybenzoate SMILES: CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl

Alfa Aesar™ Methyl 4-chloro-3-nitrobenzoate, 98%

CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate, 4-chloro-3-nitrobenzoic acid methyl ester, methyl-4-chloro-3-nitrobenzoate, benzoic acid, 4-chloro-3-nitro-, methyl ester, acmc-209cya, methyl-3-nitro-4-chlorobenzoate, methyl 3-nitro-4-chlorobenzoate, xrtkwpwdsunlhs-uhfffaoysa, methyl 4-chloro-3-nitro-benzoate, methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Alfa Aesar™ Sodium 4-aminosalicylate dihydrate, 98%

CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 MDL Number: MFCD00151044 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate, sodium 4-amino-2-hydroxybenzoate dihydrate, parasal sodium, 4-aminosalicylic acid sodium salt dihydrate, unii-s38b9w6axw, aminosalicylate sodium, sodium aminosalicylate, sodium p.a.s., s38b9w6axw, aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]

3-Bromobenzoic acid, 99%, ACROS Organics™

CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid, 3-brombenzoic acid, benzoic acid, 3-bromo, 3-bromo-benzoic acid, benzoic acid, m-bromo, unii-7dct3a73lx, 7dct3a73lx, 3-bromo benzene acid, 3-bromobenzoicacid, 4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O

Alfa Aesar™ 5-Ethoxycarbonyl-2-fluorobenzeneboronic acid, 97%

CAS: 874219-60-0 Molecular Formula: C9H10BFO4 Molecular Weight (g/mol): 211.983 MDL Number: MFCD08235094 InChI Key: QXIIYFKTSGJTNE-UHFFFAOYSA-N Synonym: 5-ethoxycarbonyl-2-fluorophenyl boronic acid, 3-borono-4-fluorobenzoic acid ethyl ester, 5-ethoxycarbonyl-2-fluorobenzeneboronic acid, 2-fluoro-5-ethoxycarbonylphenylboronic acid, 5-ethoxycarbonyl-2-fluorophenylboronic acid, benzoic acid,3-borono-4-fluoro-, 1-ethyl ester 9ci, acmc-209qlk, 5-ethoxycarbonyl-2-fluorophenylboronic acid contains varying amounts of anhydride PubChem CID: 44717604 IUPAC Name: (5-ethoxycarbonyl-2-fluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)OCC)F)(O)O

2,6-Dichlorobenzoic Acid, 98+%, ACROS Organics™

CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro, 2,6-dichloro-benzoic acid, unii-634ri764qt, 2,6 dichlorobenzoic acid, 2,6-dichlorobenzoicacid, 2,6-dichloro-benzoicacid, ccris 8610, pubchem20028, acmc-1auop, 2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)Cl

4-Fluorobenzoyl chloride, 98%, ACROS Organics™

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro, p-fluorobenzoyl chloride, benzoyl chloride, p-fluoro, p-fluorobenzoic acid chloride, 4-fluorobenzoylchloride, fluorobenzoyl 4-chloride, 4-fluorobenzoic acid chloride, p-fluorobenzoylchloride, p-fluorobenzoyl choride, 4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

Alfa Aesar™ 2-Chloro-4-fluoro-5-nitrobenzoic acid, 97%

CAS: 114776-15-7 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115715 InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrobenzoic acid, 2-chloro-4-fluoro-5-nitro-benzoic acid, benzoic acid, 2-chloro-4-fluoro-5-nitro, benzoic acid,2-chloro-4-fluoro-5-nitro, acmc-2099ln, 5-carboxy-4-chloro-2-fluoronitrobenzene, 2,2'-bithiophene-5,8'-diylbis trimethylstannane PubChem CID: 7210828 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

Alfa Aesar™ 4-Nitro-2-(trifluoromethyl)benzoic acid, 97%

CAS: 320-37-6 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD04039246 InChI Key: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzoic acid, 2-carboxy-5-nitrobenzotrifluoride, 4-nitro-2-trifluoromethyl-benzoic acid, 4-nitro-2-trifluoromethylbenzoic acid, benzoic acid, 4-nitro-2-trifluoromethyl, 4-nitro-2-trifluoromethyl benzoic acid&, pubchem1342, ksc496i1p, rarechem al bo 1444, 2-trifluoromethyl-4-nitrobenzoic acid PubChem CID: 2782737 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C(=O)O

Alfa Aesar™ 2-Chloro-5-(2,3-dichlorophenylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449144-73-3 Molecular Formula: C13H9BCl3NO3 Molecular Weight (g/mol): 344.379 MDL Number: MFCD27996215 InChI Key: JISRVYPGQJIELD-UHFFFAOYSA-N Synonym: 2-chloro-5-2,3-dichlorophenylcarbamoyl benzeneboronic acid, 2-chloro-5-2,3-dichlorophenyl carbamoyl phenylboronic acid, 2-chloro-5-2,3-dichlorophenylcarbamoyl phenylboronic acid PubChem CID: 73995881 IUPAC Name: [2-chloro-5-[(2,3-dichlorophenyl)carbamoyl]phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl)Cl)(O)O

Alfa Aesar™ 4-Fluoro-2-(trifluoromethoxy)benzoyl chloride, 97%

CAS: 1323966-38-6 Molecular Formula: C8H3ClF4O2 Molecular Weight (g/mol): 242.554 MDL Number: MFCD19687189 InChI Key: RAPKOVZLHNOHEJ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethoxy benzoyl chloride PubChem CID: 66523624 IUPAC Name: 4-fluoro-2-(trifluoromethoxy)benzoyl chloride SMILES: C1=CC(=C(C=C1F)OC(F)(F)F)C(=O)Cl

Alfa Aesar™ 2-Amino-3-methoxybenzoic acid

CAS: 3177-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00075178 InChI Key: SXOPCLUOUFQBJV-UHFFFAOYSA-N Synonym: 3-methoxyanthranilic acid, benzoic acid, 2-amino-3-methoxy, 3-methoxyanthranilate, m-anisic acid, 2-amino, 3-methoxy-2-aminobenzoic acid, 2-amino-3-methoxy-benzoic acid, 2-amino-3-methoxy benzoic acid, 2-amino-3-methyloxy benzoic acid, 2-amino-3-methoxybenzoicacid PubChem CID: 255720 ChEBI: CHEBI:27440 IUPAC Name: 2-amino-3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1N)C(=O)O

Alfa Aesar™ Thiosalicylic acid, 98%

CAS: 147-93-3 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00004836 InChI Key: NBOMNTLFRHMDEZ-UHFFFAOYSA-N Synonym: thiosalicylic acid, 2-mercaptobenzoic acid, o-mercaptobenzoic acid, 2-thiosalicylic acid, o-thiosalicylic acid, 2-carboxythiophenol, o-benzoic acid thiol, o-carboxythiophenol, o-sulfhydrylbenzoic acid, benzoic acid, 2-mercapto PubChem CID: 5443 ChEBI: CHEBI:59124 IUPAC Name: 2-sulfanylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)S

5-chloro-2-nitrobenzoic acid, 99%, ACROS Organics™

CAS: 2516-95-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid, benzoic acid, 5-chloro-2-nitro, 2-nitro-5-chlorobenzoic acid, 3-chloro-6-nitrobenzoic acid, 5-chloro-2-nitro-benzoic acid, pubchem4586, acmc-209ghs, rarechem al bo 1106, timtec-bb sbb009922, 2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

5-Nitrosalicylic acid, 99%, ACROS Organics™

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid, 2-hydroxy-5-nitrobenzoic acid, anilotic acid, benzoic acid, 2-hydroxy-5-nitro, 5-nitro-2-hydroxybenzoic acid, unii-82l9g7fyz3, 2-hydroxy-5-nitro-benzoic acid, 5-nitro-salicylic acid, salicylic acid, 5-nitro, 5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

Alfa Aesar™ 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, 97%

CAS: 151096-42-3 Molecular Formula: C7BrClF4O Molecular Weight (g/mol): 291.424 MDL Number: MFCD03001174 InChI Key: FLVURBOAHUGHCH-UHFFFAOYSA-N Synonym: benzoyl chloride,2-bromo-3,4,5,6-tetrafluoro, 2-bromo-3,4,5,6-tetrafluorobenzoylchloride, acmc-1c3i6, 2-bromo-3,4,5,6-tetrafluoro-benzoyl chloride, 2-bromanyl-3,4,5,6-tetrakis fluoranyl benzoyl chloride PubChem CID: 2783243 IUPAC Name: 2-bromo-3,4,5,6-tetrafluorobenzoyl chloride SMILES: C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl

Alfa Aesar™ 2-Methoxy-4-nitrobenzoic acid, 98%

CAS: 2597-56-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00216573 InChI Key: KPJXEWJRJKEOCD-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzoic acid, 4-nitro-o-anisic acid, 4-nitro-2-methoxybenzoic acid, rarechem al bo 1464, 2-carboxy-5-nitroanisole, 2-methoxy-4-nitro-benzoic acid, benzoic acid, 2-methoxy-4-nitro, 4-nitro-2-methoxybenzoicacid, pubchem4977, acmc-20a5eb PubChem CID: 75776 SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

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