dimethyl 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylate

Systemtic Name: dimethyl 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylate Openeye Name: dimethyl 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylate CAS Name: 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylate Traditional Name: 1-(4-bromophenyl)-4-(4-cyanophenyl)pyrrole-2,3-dicarboxylic acid dimethyl ester Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C=C1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C=C1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H15BrN2O4/c1-27-20(25)18-17(14-5-3-13(11-23)4-6-14)12-24(19(18)21(26)28-2)16-9-7-15(22)8-10-16/h3-10,12H,1-2H3