ethyl (3E)-3-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)imino-2-ethyl-butanoate

Systemtic Name: ethyl (3E)-3-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)imino-2-ethyl-butanoate Openeye Name: ethyl (3E)-3-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)imino]-2-ethyl-butanoate CAS Name: (3E)-3-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)imino]-2-ethylbutanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)imino-2-ethylbutanoate Traditional Name: (3E)-3-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)imino]-2-ethyl-butyric acid ethyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NN1C(=CC(=C(C1=O)C#N)C)C)C)C(=O)OCC

Isomeric SMILES

CCC(/C(=N/N1C(=CC(=C(C1=O)C#N)C)C)/C)C(=O)OCC

InChI

InChI=1S/C16H21N3O3/c1-6-13(16(21)22-7-2)12(5)18-19-11(4)8-10(3)14(9-17)15(19)20/h8,13H,6-7H2,1-5H3/b18-12+