[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C21H19NO3/c1-3-16-8-10-18(11-9-16)20(23)14-25-21(24)19(13-22)12-17-6-4-15(2)5-7-17/h4-12H,3,14H2,1-2H3/b19-12+