ethyl 4-(4-bromophenyl)-5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-[(4-methylphenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-p-toluoyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H18BrNO3/c1-3-26-21(25)17-12-23-19(18(17)14-8-10-16(22)11-9-14)20(24)15-6-4-13(2)5-7-15/h4-12,23H,3H2,1-2H3