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

Systemtic Name: ethyl 4-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(3-chloro-4,5-dimethoxy-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:

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

Isomeric SMILES

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

InChI

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