4-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid

Systemtic Name: 4-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid Openeye Name: 4-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid CAS Name: 4-[[[2-(nitrooxymethyl)phenyl]methoxy-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid Traditional Name: 4-[[2-(nitrooxymethyl)benzyl]oxycarbonylsulfamoyl]benzoic acid Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)CO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)CO[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O9S/c19-15(20)11-5-7-14(8-6-11)28(24,25)17-16(21)26-9-12-3-1-2-4-13(12)10-27-18(22)23/h1-8H,9-10H2,(H,17,21)(H,19,20)