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

Systemtic Name: 5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-2-nitro-benzenesulfonic acid Openeye Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-nitro-benzenesulfonic acid CAS Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-nitrobenzenesulfonic acid IUPAC Name: 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-nitrobenzenesulfonic acid Traditional Name: 5-(5-keto-3-methyl-3-pyrazolin-1-yl)-2-nitro-besylic acid Formula: C10H9N3O6S MolecularWeight: 299.25996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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