diethyl 2-(2-oxidanylideneazepan-3-yl)propanedioate

Systemtic Name: diethyl 2-(2-oxidanylideneazepan-3-yl)propanedioate Openeye Name: diethyl 2-(2-oxoazepan-3-yl)propanedioate CAS Name: 2-(2-oxo-3-azepanyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-oxoazepan-3-yl)propanedioate Traditional Name: 2-(2-ketoazepan-3-yl)malonic acid diethyl ester Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCNC1=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CCCCNC1=O)C(=O)OCC

InChI

InChI=1S/C13H21NO5/c1-3-18-12(16)10(13(17)19-4-2)9-7-5-6-8-14-11(9)15/h9-10H,3-8H2,1-2H3,(H,14,15)