tert-butyl 3-oxidanylidene-3-pyridin-2-yl-propanoate

Systemtic Name: tert-butyl 3-oxidanylidene-3-pyridin-2-yl-propanoate Openeye Name: tert-butyl 3-oxo-3-(2-pyridyl)propanoate CAS Name: 3-oxo-3-(2-pyridinyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-pyridin-2-ylpropanoate Traditional Name: 3-keto-3-(2-pyridyl)propionic acid tert-butyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)C1=CC=CC=N1

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)C1=CC=CC=N1

InChI

InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)8-10(14)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3