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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2C(CC(=C)N2)(C(F)(F)F)O)C)[N+](=O)[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/h16,22H,1,4-5H2,2-3H3