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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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