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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H19NO4 MolecularWeight: 397.42266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H19NO4/c1-29-25(28)21-11-7-19(8-12-21)17-30-23-13-9-18(10-14-23)15-22(16-26)24(27)20-5-3-2-4-6-20/h2-15H,17H2,1H3/b22-15+