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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N3O5
Molecular Weight 319.3126
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ENTACAPONE 3-METHYL ETHER

SMILES

CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(OC)=C1)[N+]([O-])=O)\C#N

InChI

InChIKey=MAZRYCCTAIVEQP-IZZDOVSWSA-N
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+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ENTACAPONE 3-METHYL ETHER
Common Name English
2-PROPENAMIDE, 2-CYANO-N,N-DIETHYL-3-(4-HYDROXY-3-METHOXY-5-NITROPHENYL)-, (2E)-
Systematic Name English
Code System Code Type Description
CAS
857629-78-8
Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023
PRIMARY
FDA UNII
W9VF5G2UXT
Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID30466312
Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023
PRIMARY
PUBCHEM
11449993
Created by admin on Sat Dec 16 17:46:41 GMT 2023 , Edited by admin on Sat Dec 16 17:46:41 GMT 2023
PRIMARY
NIH
NCATS
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