[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O7S/c18-28(25,26)15-6-4-12(5-7-15)8-9-19-16(21)11-27-17(22)13-2-1-3-14(10-13)20(23)24/h1-7,10H,8-9,11H2,(H,19,21)(H2,18,25,26)