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

Systemtic Name: ethyl 4-[3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[3-(5-bromo-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[3-(5-bromo-2-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-(5-bromo-2-methoxy-phenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4/c1-5-27-20(25)18-12(3)23-11(2)17(18)19(24)14(10-22)8-13-9-15(21)6-7-16(13)26-4/h6-9,23H,5H2,1-4H3