dimethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]phenyl]-1-methyl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]phenyl]-1-methyl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-[4-[(4-bromo-2-fluoro-benzoyl)amino]phenyl]-1-methyl-pyrrole-3,4-dicarboxylate CAS Name: 2-[4-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]phenyl]-1-methylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-1-methylpyrrole-3,4-dicarboxylate Traditional Name: 2-[4-[(4-bromo-2-fluoro-benzoyl)amino]phenyl]-1-methyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C22H18BrFN2O5 MolecularWeight: 489.291123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Br)F)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(C(=C1C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Br)F)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H18BrFN2O5/c1-26-11-16(21(28)30-2)18(22(29)31-3)19(26)12-4-7-14(8-5-12)25-20(27)15-9-6-13(23)10-17(15)24/h4-11H,1-3H3,(H,25,27)