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

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C18H14F3N3O5S MolecularWeight: 441.38107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O5S/c1-2-13-11-17(23(22-13)14-6-8-15(9-7-14)24(25)26)29-30(27,28)16-5-3-4-12(10-16)18(19,20)21/h3-11H,2H2,1H3