3-[(4-nitrophenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(hydroxyamino)-2-oxo-ethyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(hydroxyamino)-2-oxoethyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(hydroxyamino)-2-oxoethyl]-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(hydroxyamino)-2-keto-ethyl]-(4-nitrobenzyl)sulfamoyl]benzoic acid Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8S/c20-15(17-23)10-18(9-11-4-6-13(7-5-11)19(24)25)28(26,27)14-3-1-2-12(8-14)16(21)22/h1-8,23H,9-10H2,(H,17,20)(H,21,22)