[(5S)-3-ethyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methyl-4-nitro-pyrazol-3-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=NN(C=C2[N+](=O)[O-])C

Isomeric SMILES

CCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=NN(C=C2[N+](=O)[O-])C

InChI

InChI=1S/C11H12F3N5O4/c1-3-6-4-10(21,11(12,13)14)18(15-6)9(20)8-7(19(22)23)5-17(2)16-8/h5,21H,3-4H2,1-2H3/t10-/m0/s1