4-chloranyl-3-[3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-chloranyl-3-[3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: 4-chloro-3-[5-keto-3-(4-nitrophenyl)-2-pyrazolin-1-yl]besylate Formula: C15H9ClN3O6S- MolecularWeight: 394.76646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN3O6S/c16-12-6-5-11(26(23,24)25)7-14(12)18-15(20)8-13(17-18)9-1-3-10(4-2-9)19(21)22/h1-7H,8H2,(H,23,24,25)/p-1