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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 4-(2-oxo-2-phenyl-acetyl)benzoate CAS Name: 4-(1,2-dioxo-2-phenylethyl)benzoic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(2-oxo-2-phenylacetyl)benzoate Traditional Name: 4-(2-keto-2-phenyl-acetyl)benzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C27H19NO6 MolecularWeight: 453.44286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19NO6/c1-2-33-26(31)22(17-28)15-18-7-6-10-23(16-18)34-27(32)21-13-11-20(12-14-21)25(30)24(29)19-8-4-3-5-9-19/h3-16H,2H2,1H3/b22-15+