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

Systemtic Name: ethyl 4-[(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5/c1-5-28-16-9-13(8-15(22)20(16)26)7-14(10-23)19(25)17-11(3)24-12(4)18(17)21(27)29-6-2/h7-9,24,26H,5-6H2,1-4H3/b14-7+