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

Systemtic Name: 3-[3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[5-keto-3-(4-nitrophenyl)-2-pyrazolin-1-yl]besylic acid Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O6S/c19-15-9-14(10-4-6-11(7-5-10)18(20)21)16-17(15)12-2-1-3-13(8-12)25(22,23)24/h1-8H,9H2,(H,22,23,24)