[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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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(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C22H22N2O5/c1-5-28-18-8-6-16(7-9-18)10-17(11-23)22(27)29-12-19(26)21-13(2)20(15(4)25)14(3)24-21/h6-10,24H,5,12H2,1-4H3/b17-10+