4-chloranyl-3-(3-nitrooxypropanoylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-nitrooxypropanoylsulfamoyl)benzoic acid Openeye Name: 4-chloro-3-(3-nitrooxypropanoylsulfamoyl)benzoic acid CAS Name: 4-chloro-3-[(3-nitrooxy-1-oxopropyl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-(3-nitrooxypropanoylsulfamoyl)benzoic acid Traditional Name: 4-chloro-3-(3-nitrooxypropanoylsulfamoyl)benzoic acid Formula: C10H9ClN2O8S MolecularWeight: 352.70506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC(=O)CCO[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NC(=O)CCO[N+](=O)[O-])Cl

InChI

InChI=1S/C10H9ClN2O8S/c11-7-2-1-6(10(15)16)5-8(7)22(19,20)12-9(14)3-4-21-13(17)18/h1-2,5H,3-4H2,(H,12,14)(H,15,16)