3-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(hydroxyamino)-3-oxo-propyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(hydroxyamino)-3-keto-propyl]-(4-nitrobenzyl)sulfamoyl]benzoic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17N3O8S/c21-16(18-24)8-9-19(11-12-4-6-14(7-5-12)20(25)26)29(27,28)15-3-1-2-13(10-15)17(22)23/h1-7,10,24H,8-9,11H2,(H,18,21)(H,22,23)