[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13BrFN3O7S MolecularWeight: 490.257723

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrFN3O7S/c1-19-29(26,27)10-3-4-13(18)11(7-10)16(23)28-8-15(22)20-14-5-2-9(21(24)25)6-12(14)17/h2-7,19H,8H2,1H3,(H,20,22)