[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H18BrN3O3/c1-20(2)13-5-3-11(4-6-13)8-19-15(21)10-23-16(22)14-7-12(17)9-18-14/h3-7,9,18H,8,10H2,1-2H3,(H,19,21)