[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H14BrN3O7S MolecularWeight: 472.26726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

InChI

InChI=1S/C16H14BrN3O7S/c1-9(15(21)19-13-4-2-3-5-14(13)20(23)24)27-16(22)11-8-10(28(18,25)26)6-7-12(11)17/h2-9H,1H3,(H,19,21)(H2,18,25,26)