[4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]phenyl] ester Formula: C24H18N2O3 MolecularWeight: 382.41132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H18N2O3/c1-17-6-5-9-21(14-17)26-23(27)20(16-25)15-18-10-12-22(13-11-18)29-24(28)19-7-3-2-4-8-19/h2-15H,1H3,(H,26,27)/b20-15+