Entacapone 3-methyl ether

CAS Registry Number®

857629-78-8

CAS Name

Entacapone 3-methyl ether

Molecular Formula

C15H17N3O5

Molecular Mass

319.31

Cite this Page

Entacapone 3-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=857629-78-8 (retrieved 2024-11-22) (CAS RN: 857629-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129.6-131.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H17N3O5/c1-4-17(5-2)15(20)11(9-16)6-10-7-12(18(21)22)14(19)13(8-10)23-3/h6-8,19H,4-5H2,1-3H3/b11-6+

InChIKey

InChIKey=MAZRYCCTAIVEQP-IZZDOVSWSA-N

SMILES

C(=C(/C(N(CC)CC)=O)\C#N)\C1=CC(N(=O)=O)=C(O)C(OC)=C1

Canonical SMILES

N#CC(=CC=1C=C(OC)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC

Other Names for this Substance

  • 2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-
  • (2E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide
  • Entacapone 3-methyl ether

CAS INSIGHTSTM
Hourglass and a clock