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

Systemtic Name: ethyl 4-[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C)OC

InChI

InChI=1S/C22H23BrN2O5/c1-6-29-21-16(23)9-14(10-17(21)28-5)8-15(11-24)20(26)18-12(3)25-13(4)19(18)22(27)30-7-2/h8-10,25H,6-7H2,1-5H3/b15-8+