3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole

Systemtic Name: 3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole Openeye Name: 3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole CAS Name: 3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole IUPAC Name: 3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole Traditional Name: 3-tert-butyl-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole Formula: C14H14F3N3O2 MolecularWeight: 313.27507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O2/c1-13(2,3)11-8-12(14(15,16)17)19(18-11)9-4-6-10(7-5-9)20(21)22/h4-8H,1-3H3