2,2,2-tris(fluoranyl)-1-[3-methyl-5-(3-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C(F)(F)F

Isomeric SMILES

CC1=NN(C(C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C(F)(F)F

InChI

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