2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[5-methyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-3-pyrazolin-1-yl]ethanone Formula: C12H14F3N5O4 MolecularWeight: 349.26587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(N(N1)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)(C(F)(F)F)O

InChI

InChI=1S/C12H14F3N5O4/c1-6-4-11(22,12(13,14)15)19(16-6)9(21)5-18-8(3)10(20(23)24)7(2)17-18/h4,16,22H,5H2,1-3H3