4-chloranyl-3-(2-nitrooxyethanoylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-nitrooxyethanoylsulfamoyl)benzoic acid Openeye Name: 4-chloro-3-[(2-nitrooxyacetyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(2-nitrooxy-1-oxoethyl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(2-nitrooxyacetyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(2-nitrooxyacetyl)sulfamoyl]benzoic acid Formula: C9H7ClN2O8S MolecularWeight: 338.67848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClN2O8S/c10-6-2-1-5(9(14)15)3-7(6)21(18,19)11-8(13)4-20-12(16)17/h1-3H,4H2,(H,11,13)(H,14,15)