2-(5-cyano-1-ethyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)-4-(1-ethyl-5-isocyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)cyclobutane-1,3-diolate

Systemtic Name: 2-(5-cyano-1-ethyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)-4-(1-ethyl-5-isocyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)cyclobutane-1,3-diolate Openeye Name: 2-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)-4-(1-ethyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridyl)cyclobutane-1,3-diolate CAS Name: 2-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)-4-(1-ethyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)cyclobutane-1,3-diolate IUPAC Name: 2-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxopyridin-3-yl)-4-(1-ethyl-2-hydroxy-5-isocyano-4-methyl-6-oxopyridin-3-yl)cyclobutane-1,3-diolate Traditional Name: 2-(5-cyano-1-ethyl-2-hydroxy-6-keto-4-methyl-3-pyridyl)-4-(1-ethyl-2-hydroxy-5-isocyano-6-keto-4-methyl-3-pyridyl)cyclobutane-1,3-diolate Formula: C22H22N4O6-2 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C(C1=O)C#N)C)C2C(C(C2[O-])C3=C(N(C(=O)C(=C3C)[N+]#[C-])CC)O)[O-])O

Isomeric SMILES

CCN1C(=C(C(=C(C1=O)C#N)C)C2C(C(C2[O-])C3=C(N(C(=O)C(=C3C)[N+]#[C-])CC)O)[O-])O

InChI

InChI=1S/C22H22N4O6/c1-6-25-19(29)11(8-23)9(3)12(20(25)30)14-17(27)15(18(14)28)13-10(4)16(24-5)22(32)26(7-2)21(13)31/h14-15,17-18,30-31H,6-7H2,1-4H3/q-2