3-nitro-5-(phenylcarbamoyl)benzenesulfonate

Systemtic Name: 3-nitro-5-(phenylcarbamoyl)benzenesulfonate Openeye Name: 3-nitro-5-(phenylcarbamoyl)benzenesulfonate CAS Name: 3-[anilino(oxo)methyl]-5-nitrobenzenesulfonate IUPAC Name: 3-nitro-5-(phenylcarbamoyl)benzenesulfonate Traditional Name: 3-nitro-5-(phenylcarbamoyl)besylate Formula: C13H9N2O6S- MolecularWeight: 321.28536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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