ethyl 5-[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-o-phenetyl-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(C#N)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-5-26-17-10-8-7-9-15(17)11-16(12-22)20(24)19-13(3)18(14(4)23-19)21(25)27-6-2/h7-11,23H,5-6H2,1-4H3/b16-11+