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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(C)(C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C(C)(C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N5O4/c1-7-4-11(22,12(13,14)15)19(17-7)9(21)10(2,3)18-6-8(5-16-18)20(23)24/h5-6,22H,4H2,1-3H3/t11-/m0/s1