4-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]benzoic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C18H14N2O3/c1-12-3-2-4-16(9-12)20-17(21)15(11-19)10-13-5-7-14(8-6-13)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b15-10-