[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H10BrF2NO5 MolecularWeight: 414.155106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)F)F)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrF2NO5/c1-8(15(21)9-3-5-12(18)13(19)6-9)25-16(22)10-2-4-11(17)14(7-10)20(23)24/h2-8H,1H3