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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-3-(3-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-3-(3-acetylanilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H22N2O5/c1-3-33-25-15-19(12-13-24(25)34-27(32)20-8-5-4-6-9-20)14-22(17-28)26(31)29-23-11-7-10-21(16-23)18(2)30/h4-16H,3H2,1-2H3,(H,29,31)/b22-14+