2-methyl-1-[5-(4-nitrophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]propan-1-one

Systemtic Name: 2-methyl-1-[5-(4-nitrophenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]propan-1-one Openeye Name: 1-[3-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-methyl-propan-1-one CAS Name: 1-[3-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[3-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-methylpropan-1-one Traditional Name: 1-[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-3-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C14H14F3N3O4 MolecularWeight: 345.27387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O4/c1-8(2)12(21)19-13(22,14(15,16)17)7-11(18-19)9-3-5-10(6-4-9)20(23)24/h3-8,18,22H,1-2H3