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

Systemtic Name: 4-chloranyl-3-[3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-chloro-3-[3-(4-nitrophenyl)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-chloro-3-[5-keto-3-(4-nitrophenyl)-2-pyrazolin-1-yl]besylic acid Formula: C15H10ClN3O6S MolecularWeight: 395.7744

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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)