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

Systemtic Name: [3-[bis(fluoranyl)methyl]-5-methyl-3-oxidanyl-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone Openeye Name: [3-(difluoromethyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone CAS Name: [3-(difluoromethyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-(difluoromethyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(difluoromethyl)-5-hydroxy-3-methyl-3-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C12H11F2N3O4 MolecularWeight: 299.230246

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C12H11F2N3O4/c1-7-6-12(19,11(13)14)16(15-7)10(18)8-3-2-4-9(5-8)17(20)21/h2-6,11,15,19H,1H3