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

Systemtic Name: (4-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]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-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=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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