[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H19N3O4/c14-6-4-7-15-11(17)10-20-13(19)9-16-8-3-1-2-5-12(16)18/h1-5,7-10H2,(H,15,17)