O1-methyl O3-[2-(2-oxidanylideneazepan-1-yl)ethyl] propanedioate

Systemtic Name: O1-methyl O3-[2-(2-oxidanylideneazepan-1-yl)ethyl] propanedioate Openeye Name: O1-methyl O3-[2-(2-oxoazepan-1-yl)ethyl] propanedioate CAS Name: propanedioic acid O1-methyl ester O3-[2-(2-oxo-1-azepanyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(2-oxoazepan-1-yl)ethyl] propanedioate Traditional Name: malonic acid O3-[2-(2-ketoazepan-1-yl)ethyl] ester O1-methyl ester Formula: C12H19NO5 MolecularWeight: 257.28296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)OCCN1CCCCCC1=O

Isomeric SMILES

COC(=O)CC(=O)OCCN1CCCCCC1=O

InChI

InChI=1S/C12H19NO5/c1-17-11(15)9-12(16)18-8-7-13-6-4-2-3-5-10(13)14/h2-9H2,1H3