4-chloranyl-3-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[[2-(nitrooxymethyl)phenyl]methoxy-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[2-(nitrooxymethyl)phenyl]methoxycarbonylsulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(nitrooxymethyl)benzyl]oxycarbonylsulfamoyl]benzoic acid Formula: C16H13ClN2O9S MolecularWeight: 444.80042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O9S/c17-13-6-5-10(15(20)21)7-14(13)29(25,26)18-16(22)27-8-11-3-1-2-4-12(11)9-28-19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)