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

Systemtic Name: [3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C12H10F3N3O4 MolecularWeight: 317.22071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3N3O4/c1-7-6-11(20,12(13,14)15)17(16-7)10(19)8-3-2-4-9(5-8)18(21)22/h2-5,20H,6H2,1H3