[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C15H12BrN3O7S MolecularWeight: 458.24068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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