[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C19H18FN3O5S MolecularWeight: 419.426723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O5S/c1-19(2,3)17-12-18(22(21-17)15-6-4-5-13(20)11-15)28-29(26,27)16-9-7-14(8-10-16)23(24)25/h4-12H,1-3H3