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

Systemtic Name: [3-[(E)-2-cyano-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(E)-3-(4-acetylanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O4/c1-17-5-3-7-21(13-17)26(31)32-24-8-4-6-19(15-24)14-22(16-27)25(30)28-23-11-9-20(10-12-23)18(2)29/h3-15H,1-2H3,(H,28,30)/b22-14+