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

Systemtic Name: ethyl 5-[(E)-3-(4-acetamidophenyl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-(4-acetamidophenyl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-(4-acetamidophenyl)-2-cyano-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-(4-acetamidophenyl)-2-cyanoprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-(4-acetamidophenyl)-2-cyano-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=C(C=C2)NC(=O)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=C(C=C2)NC(=O)C)/C#N)C

InChI

InChI=1S/C21H21N3O4/c1-5-28-21(27)18-12(2)19(23-13(18)3)20(26)16(11-22)10-15-6-8-17(9-7-15)24-14(4)25/h6-10,23H,5H2,1-4H3,(H,24,25)/b16-10+