[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H17NO3 MolecularWeight: 319.35388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C(=CC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C20H17NO3/c1-14-8-9-17(10-15(14)2)19(22)13-24-20(23)18(12-21)11-16-6-4-3-5-7-16/h3-11H,13H2,1-2H3