[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H14F3N3O5S MolecularWeight: 489.42387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14F3N3O5S/c23-22(24,25)16-7-4-8-19(13-16)34(31,32)33-21-14-20(15-5-2-1-3-6-15)26-27(21)17-9-11-18(12-10-17)28(29)30/h1-14H