[3-[(Z)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate

Systemtic Name: [3-[(Z)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(Z)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(Z)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-(3,4-dimethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O3/c1-17-6-4-8-21(12-17)26(30)31-24-9-5-7-20(15-24)14-22(16-27)25(29)28-23-11-10-18(2)19(3)13-23/h4-15H,1-3H3,(H,28,29)/b22-14-