(2-methyl-3-nitro-phenyl)-[(5R)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[(5R)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H12F3N3O4/c1-7-6-12(21,13(14,15)16)18(17-7)11(20)9-4-3-5-10(8(9)2)19(22)23/h3-5,21H,6H2,1-2H3/t12-/m1/s1