3-[1-(5-nitropyridin-2-yl)-5-oxidanylidene-4H-pyrazol-3-yl]benzenesulfonic acid

Systemtic Name: 3-[1-(5-nitropyridin-2-yl)-5-oxidanylidene-4H-pyrazol-3-yl]benzenesulfonic acid Openeye Name: 3-[1-(5-nitro-2-pyridyl)-5-oxo-4H-pyrazol-3-yl]benzenesulfonic acid CAS Name: 3-[1-(5-nitro-2-pyridinyl)-5-oxo-4H-pyrazol-3-yl]benzenesulfonic acid IUPAC Name: 3-[1-(5-nitropyridin-2-yl)-5-oxo-4H-pyrazol-3-yl]benzenesulfonic acid Traditional Name: 3-[5-keto-1-(5-nitro-2-pyridyl)-2-pyrazolin-3-yl]besylic acid Formula: C14H10N4O6S MolecularWeight: 362.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=NC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=NC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C14H10N4O6S/c19-14-7-12(9-2-1-3-11(6-9)25(22,23)24)16-17(14)13-5-4-10(8-15-13)18(20)21/h1-6,8H,7H2,(H,22,23,24)