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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO4/c1-2-29-24(27)22(17-26)15-18-7-6-10-23(16-18)30-25(28)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-16H,2H2,1H3/b22-15+