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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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