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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C)OC

InChI

InChI=1S/C22H24N2O5/c1-6-28-18-11-15(8-9-17(18)27-5)10-16(12-23)21(25)19-13(3)24-14(4)20(19)22(26)29-7-2/h8-11,24H,6-7H2,1-5H3/b16-10+