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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C14H12BrFN2O3 MolecularWeight: 355.159083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=CN2)Br)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=CN2)Br)F

InChI

InChI=1S/C14H12BrFN2O3/c15-10-5-12(17-7-10)14(20)21-8-13(19)18-6-9-1-3-11(16)4-2-9/h1-5,7,17H,6,8H2,(H,18,19)