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

Systemtic Name: [4-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-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=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)C)C

InChI

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