CAS Registry Number®
130929-57-6
CAS Name
Entacapone
Molecular Formula
C14H15N3O5
Molecular Mass
305.29
Compound Properties
-
Melting Point (1)
162-163 °C
Source(s)
- (1) Anonymous; IP.com Journal, (2008), 8(12A), 17, CAplus
Other Names and Identifiers
InChI
InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
InChIKey
InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N
SMILES
C(=C(/C(N(CC)CC)=O)\C#N)\C1=CC(N(=O)=O)=C(O)C(O)=C1
Canonical SMILES
N#CC(=CC1=CC(O)=C(O)C(=C1)N(=O)=O)C(=O)N(CC)CC
Other Names for this Substance
- 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-
- 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (E)-
- (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
- Entacapone
- Comtan
- OR 611
- (E)-Entacapone
- Entacom
- Parkicapone
- Comtess
Deleted or Replaced CAS Registry Numbers
116314-67-1
