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

Systemtic Name: [5-[bis(fluoranyl)methyl]-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(difluoromethyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C12H11F2N3O4 MolecularWeight: 299.230246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CC(=CC=C2)[N+](=O)[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/h2-5,11,19H,6H2,1H3