[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H17BrN2O3/c1-10-3-5-12(6-4-10)8-19-15(20)11(2)22-16(21)14-7-13(17)9-18-14/h3-7,9,11,18H,8H2,1-2H3,(H,19,20)