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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H21NO3/c1-14-5-7-18(8-6-14)11-19(12-23)22(25)26-13-21(24)20-10-16(3)15(2)9-17(20)4/h5-11H,13H2,1-4H3/b19-11+