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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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