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

Systemtic Name: ethyl 4-[(E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(5-bromo-2-propoxyphenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C

InChI

InChI=1S/C22H23BrN2O4/c1-5-9-29-18-8-7-17(23)11-15(18)10-16(12-24)21(26)19-13(3)25-14(4)20(19)22(27)28-6-2/h7-8,10-11,25H,5-6,9H2,1-4H3/b16-10+