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

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]benzoic acid methyl ester Formula: C18H13NO3 MolecularWeight: 291.30072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO3/c1-22-18(21)15-9-7-13(8-10-15)11-16(12-19)17(20)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+