2-(dimethylcarbamoyl)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(dimethylcarbamoyl)-5-nitro-benzenesulfonic acid Openeye Name: 2-(dimethylcarbamoyl)-5-nitro-benzenesulfonic acid CAS Name: 2-[dimethylamino(oxo)methyl]-5-nitrobenzenesulfonic acid IUPAC Name: 2-(dimethylcarbamoyl)-5-nitrobenzenesulfonic acid Traditional Name: 2-(dimethylcarbamoyl)-5-nitro-besylic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CN(C)C(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C9H10N2O6S/c1-10(2)9(12)7-4-3-6(11(13)14)5-8(7)18(15,16)17/h3-5H,1-2H3,(H,15,16,17)