1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Openeye Name: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)-1-pyrazolyl]ethanone IUPAC Name: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Traditional Name: 1-[4-nitro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone Formula: C12H8F3N3O3 MolecularWeight: 299.20543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N3O3/c1-7(19)17-9(8-5-3-2-4-6-8)10(18(20)21)11(16-17)12(13,14)15/h2-6H,1H3