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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-5-27-17-10-14(7-8-16(17)24)9-15(11-22)20(25)19-12(3)18(13(4)23-19)21(26)28-6-2/h7-10,23-24H,5-6H2,1-4H3/b15-9+