5-[1,1-bis(fluoranyl)ethyl]-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)pyridazin-3-one

Systemtic Name: 5-[1,1-bis(fluoranyl)ethyl]-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)pyridazin-3-one Openeye Name: 5-(1,1-difluoroethyl)-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxido-pyridin-1-ium-2-yl)pyridazin-3-one CAS Name: 5-(1,1-difluoroethyl)-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxido-2-pyridin-1-iumyl)-3-pyridazinone IUPAC Name: 5-(1,1-difluoroethyl)-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxidopyridin-1-ium-2-yl)pyridazin-3-one Traditional Name: 5-(1,1-difluoroethyl)-4-ethyl-2-(5-isocyano-3,6-dimethyl-1-oxido-pyridin-1-ium-2-yl)pyridazin-3-one Formula: C16H16F2N4O2 MolecularWeight: 334.320646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN(C1=O)C2=[N+](C(=C(C=C2C)[N+]#[C-])C)[O-])C(C)(F)F

Isomeric SMILES

CCC1=C(C=NN(C1=O)C2=[N+](C(=C(C=C2C)[N+]#[C-])C)[O-])C(C)(F)F

InChI

InChI=1S/C16H16F2N4O2/c1-6-11-12(16(4,17)18)8-20-21(15(11)23)14-9(2)7-13(19-5)10(3)22(14)24/h7-8H,6H2,1-4H3