tert-butyl (6Z)-2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanylidene-pyridin-1-ium-2-ylidene]-1-oxidanidyl-pyridine-4-carboxylate

Systemtic Name: tert-butyl (6Z)-2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanylidene-pyridin-1-ium-2-ylidene]-1-oxidanidyl-pyridine-4-carboxylate Openeye Name: tert-butyl (2Z)-2-(4-tert-butoxycarbonyl-6-methyl-1-oxo-pyridin-1-ium-2-ylidene)-6-methyl-1-oxido-pyridine-4-carboxylate CAS Name: (6Z)-2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-oxo-2-pyridin-1-iumylidene]-1-oxido-4-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6Z)-2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxopyridin-1-ium-2-ylidene]-1-oxidopyridine-4-carboxylate Traditional Name: (2Z)-2-(4-tert-butoxycarbonyl-1-keto-6-methyl-pyridin-1-ium-2-ylidene)-6-methyl-1-oxido-isonicotinic acid tert-butyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2C=C(C=C([N+]2=O)C)C(=O)OC(C)(C)C)N1[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C/C(=C/2\C=C(C=C([N+]2=O)C)C(=O)OC(C)(C)C)/N1[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O6/c1-13-9-15(19(25)29-21(3,4)5)11-17(23(13)27)18-12-16(10-14(2)24(18)28)20(26)30-22(6,7)8/h9-12H,1-8H3/b18-17-