Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate

CAS Registry Number®

38461-80-2
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CAS Name

Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate

Molecular Formula

C8H13NO3

Molecular Mass

171.19

Cite this Page

Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38461-80-2 (retrieved 2024-08-23) (CAS RN: 38461-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H13NO3/c1-12-8(11)6-2-3-7(10)9-5-4-6/h6H,2-5H2,1H3,(H,9,10)

InChIKey

InChIKey=XNAYEIBOTNDYMF-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1CCC(=O)NCC1

Canonical SMILES

O=C1NCCC(C(=O)OC)CC1

Other Names for this Substance

  • 1H-Azepine-4-carboxylic acid, hexahydro-7-oxo-, methyl ester
  • 1H-Azepine-4-carboxylic acid, hexahydro-7-oxo-, methyl ester, (±)-
  • Methyl hexahydro-7-oxo-1H-azepine-4-carboxylate
  • (±)-Hexahydro-5-carbomethoxy-2H-azepin-2-one