[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O7S/c1-19-15-7-4-12(21(24)25)8-14(15)17(23)28-10-16(22)20-9-11-2-5-13(6-3-11)29(18,26)27/h2-8,19H,9-10H2,1H3,(H,20,22)(H2,18,26,27)