2-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-5-nitro-benzenesulfonate

Systemtic Name: 2-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-5-nitro-benzenesulfonate Openeye Name: 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-nitro-benzenesulfonate CAS Name: 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-nitrobenzenesulfonate IUPAC Name: 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-5-nitrobenzenesulfonate Traditional Name: 2-(5-keto-3-methyl-3-pyrazolin-1-yl)-5-nitro-besylate Formula: C10H8N3O6S- MolecularWeight: 298.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C10H9N3O6S/c1-6-4-10(14)12(11-6)8-3-2-7(13(15)16)5-9(8)20(17,18)19/h2-5,11H,1H3,(H,17,18,19)/p-1