tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-pyridin-2-yl-ethyl)-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-pyridin-2-yl-ethyl)-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-hydroxy-2-(2-pyridyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-hydroxy-2-(2-pyridinyl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-hydroxy-2-pyridin-2-ylethyl)-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-hydroxy-2-(2-pyridyl)ethyl]-4-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CC=CC=N2)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CC=CC=N2)O

InChI

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)12-10-19-11(8-14(12)20)9-15(21)13-6-4-5-7-18-13/h4-8,10,15,21H,9H2,1-3H3,(H,19,20)