5-[bis(fluoranyl)methyl]-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4-methyl-pyridazin-3-one

Systemtic Name: 5-[bis(fluoranyl)methyl]-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4-methyl-pyridazin-3-one Openeye Name: 5-(difluoromethyl)-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4-methyl-pyridazin-3-one CAS Name: 5-(difluoromethyl)-2-(3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)-4-methyl-3-pyridazinone IUPAC Name: 5-(difluoromethyl)-2-(3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)-4-methylpyridazin-3-one Traditional Name: 5-(difluoromethyl)-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4-methyl-pyridazin-3-one Formula: C13H13F2N3O2 MolecularWeight: 281.258026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C([N+](=C1)[O-])N2C(=O)C(=C(C=N2)C(F)F)C)C

Isomeric SMILES

CC1=CC(=C([N+](=C1)[O-])N2C(=O)C(=C(C=N2)C(F)F)C)C

InChI

InChI=1S/C13H13F2N3O2/c1-7-4-8(2)12(17(20)6-7)18-13(19)9(3)10(5-16-18)11(14)15/h4-6,11H,1-3H3