4-[[4,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]benzoic acid

Systemtic Name: 4-[[4,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]benzoic acid Openeye Name: 4-[(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)amino]benzoic acid CAS Name: 4-[(4,5-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)amino]benzoic acid IUPAC Name: 4-[(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]benzoic acid Traditional Name: 4-[(3,6-diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)amino]benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)C(=CC1=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H13NO4/c1-8-9(2)14(18)12(7-13(8)17)16-11-5-3-10(4-6-11)15(19)20/h3-7,16H,1-2H3,(H,19,20)