[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C13H8BrF2NO3 MolecularWeight: 344.108326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CN2)Br)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CN2)Br)F)F

InChI

InChI=1S/C13H8BrF2NO3/c14-8-4-11(17-5-8)13(19)20-6-12(18)7-1-2-9(15)10(16)3-7/h1-5,17H,6H2