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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC1(CC(=NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F)O

InChI

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