4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-3-nitro-benzenesulfonic acid Openeye Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-3-nitro-benzenesulfonic acid CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-3-nitrobenzenesulfonic acid Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)-3-nitro-besylic acid Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O6S/c1-6-4-10(14)12(11-6)8-3-2-7(20(17,18)19)5-9(8)13(15)16/h2-3,5H,4H2,1H3,(H,17,18,19)