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

Systemtic Name: 2-methyl-2-(4-nitropyrazol-1-yl)-1-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Openeye Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one Formula: C11H12F3N5O4 MolecularWeight: 335.23929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1C(CC=N1)(C(F)(F)F)O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)N1[C@](CC=N1)(C(F)(F)F)O)N2C=C(C=N2)[N+](=O)[O-]

InChI

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