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

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C16H14BrN3O7S MolecularWeight: 472.26726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H14BrN3O7S/c17-13-6-3-11(7-14(13)20(23)24)16(22)27-9-15(21)19-8-10-1-4-12(5-2-10)28(18,25)26/h1-7H,8-9H2,(H,19,21)(H2,18,25,26)