[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3/c15-11-6-12(16-8-11)14(19)20-9-13(18)17-7-10-4-2-1-3-5-10/h1-6,8,16H,7,9H2,(H,17,18)