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

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C17H14FN3O5S MolecularWeight: 391.373563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O5S/c1-2-13-11-17(20(19-13)14-5-3-12(18)4-6-14)26-27(24,25)16-9-7-15(8-10-16)21(22)23/h3-11H,2H2,1H3