ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxo-butanoate CAS Name: (2E)-2-(2-azepanylidene)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxobutanoate Traditional Name: (2E)-2-(azepan-2-ylidene)-3-keto-butyric acid ethyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCCN1)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/1\CCCCCN1)/C(=O)C

InChI

InChI=1S/C12H19NO3/c1-3-16-12(15)11(9(2)14)10-7-5-4-6-8-13-10/h13H,3-8H2,1-2H3/b11-10+