(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CN1CCCCCC1=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CN1CCCCCC1=O

InChI

InChI=1S/C14H19N3O4/c1-10(16)11(7-15)12(18)9-21-14(20)8-17-6-4-2-3-5-13(17)19/h11,16H,2-6,8-9H2,1H3