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

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C17H18N4O8S MolecularWeight: 438.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O8S/c18-30(27,28)13-4-1-11(2-5-13)20-16(23)10-29-17(24)14-9-12(21(25)26)3-6-15(14)19-7-8-22/h1-6,9,19,22H,7-8,10H2,(H,20,23)(H2,18,27,28)