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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)C2=CC=CC=C2[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC1=CC(N(N1)C(=O)C2=CC=CC=C2[N+](=O)[O-])(C(F)(F)F)O

InChI

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