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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C11H12F3N5O4 MolecularWeight: 335.23929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2C(CC=N2)(C(F)(F)F)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2[C@](CC=N2)(C(F)(F)F)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H12F3N5O4/c1-6-9(19(22)23)7(2)17(16-6)5-8(20)18-10(21,3-4-15-18)11(12,13)14/h4,21H,3,5H2,1-2H3/t10-/m0/s1