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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(4-ethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4-ethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4-ethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4-ethylphenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

InChI=1S/C21H22N2O3/c1-5-15-7-9-16(10-8-15)11-17(12-22)20(24)18-13(3)23-14(4)19(18)21(25)26-6-2/h7-11,23H,5-6H2,1-4H3/b17-11+