1-[5-(3-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 1-[5-(3-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[5-hydroxy-5-(3-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 1-[5-hydroxy-5-(3-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 1-[5-hydroxy-5-(3-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[5-hydroxy-5-(3-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C12H10F3N3O4 MolecularWeight: 317.22071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3O4/c1-7(19)17-11(20,6-10(16-17)12(13,14)15)8-3-2-4-9(5-8)18(21)22/h2-5,20H,6H2,1H3