2-methyl-1-[(5R)-3-(4-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[(5R)-3-(4-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one Openeye Name: 1-[(5R)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[(5R)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[(5R)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[(5R)-5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C14H14F3N3O4 MolecularWeight: 345.27387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC(C)C(=O)N1[C@@](CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C14H14F3N3O4/c1-8(2)12(21)19-13(22,14(15,16)17)7-11(18-19)9-3-5-10(6-4-9)20(23)24/h3-6,8,22H,7H2,1-2H3/t13-/m1/s1