[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C15H12BrN3O7S MolecularWeight: 458.24068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O7S/c16-11-6-5-9(27(17,24)25)7-10(11)15(21)26-8-14(20)18-12-3-1-2-4-13(12)19(22)23/h1-7H,8H2,(H,18,20)(H2,17,24,25)