1-[3,4-bis(fluoranyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(3,4-difluorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(3,4-difluorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(3,4-difluorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(3,4-difluorophenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C13H11F2N3O3 MolecularWeight: 295.241546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C13H11F2N3O3/c1-7-13(18(20)21)8(2)17(16-7)6-12(19)9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3