tert-butyl 2-oxidanylidene-7-(2-oxidanylideneethyl)azepane-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-7-(2-oxidanylideneethyl)azepane-1-carboxylate Openeye Name: tert-butyl 2-oxo-7-(2-oxoethyl)azepane-1-carboxylate CAS Name: 2-oxo-7-(2-oxoethyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-7-(2-oxoethyl)azepane-1-carboxylate Traditional Name: 2-keto-7-(2-ketoethyl)azepane-1-carboxylic acid tert-butyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCCCC1=O)CC=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CCCCC1=O)CC=O

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10(8-9-15)6-4-5-7-11(14)16/h9-10H,4-8H2,1-3H3