2-[[6-chloranyl-6-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl]amino]-3-methyl-benzoic acid

Systemtic Name: 2-[[6-chloranyl-6-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl]amino]-3-methyl-benzoic acid Openeye Name: 2-[(6-benzoyl-6-chloro-cyclohexa-2,4-dien-1-yl)amino]-3-methyl-benzoic acid CAS Name: 2-[(6-benzoyl-6-chloro-1-cyclohexa-2,4-dienyl)amino]-3-methylbenzoic acid IUPAC Name: 2-[(6-benzoyl-6-chlorocyclohexa-2,4-dien-1-yl)amino]-3-methylbenzoic acid Traditional Name: 2-[(6-benzoyl-6-chloro-cyclohexa-2,4-dien-1-yl)amino]-3-methyl-benzoic acid Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC2C=CC=CC2(C(=O)C3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC2C=CC=CC2(C(=O)C3=CC=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H18ClNO3/c1-14-8-7-11-16(20(25)26)18(14)23-17-12-5-6-13-21(17,22)19(24)15-9-3-2-4-10-15/h2-13,17,23H,1H3,(H,25,26)