3-nitro-5-(phenylsulfamoyl)benzoate

Systemtic Name: 3-nitro-5-(phenylsulfamoyl)benzoate Openeye Name: 3-nitro-5-(phenylsulfamoyl)benzoate CAS Name: 3-nitro-5-(phenylsulfamoyl)benzoate IUPAC Name: 3-nitro-5-(phenylsulfamoyl)benzoate Traditional Name: 3-nitro-5-(phenylsulfamoyl)benzoate Formula: C13H9N2O6S- MolecularWeight: 321.28536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O6S/c16-13(17)9-6-11(15(18)19)8-12(7-9)22(20,21)14-10-4-2-1-3-5-10/h1-8,14H,(H,16,17)/p-1