1-[1-tert-butyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[1-tert-butyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[1-tert-butyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,2,2-trifluoro-ethanone CAS Name: 1-[1-tert-butyl-3-(4-nitrophenyl)-4-pyrazolyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[1-tert-butyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,2,2-trifluoroethanone Traditional Name: 1-[1-tert-butyl-3-(4-nitrophenyl)pyrazol-4-yl]-2,2,2-trifluoro-ethanone Formula: C15H14F3N3O3 MolecularWeight: 341.28517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O3/c1-14(2,3)20-8-11(13(22)15(16,17)18)12(19-20)9-4-6-10(7-5-9)21(23)24/h4-8H,1-3H3