[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H21NO4/c1-4-26-19-9-7-17(8-10-19)12-18(13-23)22(25)27-14-21(24)20-11-15(2)5-6-16(20)3/h5-12H,4,14H2,1-3H3/b18-12+