U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H19N3O5
Molecular Weight 333.3392
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-O-ETHYLENTACAPONE

SMILES

CCOC1=CC(=CC(=C1O)[N+]([O-])=O)\C=C(/C#N)C(=O)N(CC)CC

InChI

InChIKey=FGJZUPPLPIHQSE-KPKJPENVSA-N
InChI=1S/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+

HIDE SMILES / InChI

Approval Year

Name Type Language
3-O-ETHYLENTACAPONE
Common Name English
2-PROPENAMIDE, 2-CYANO-3-(3-ETHOXY-4-HYDROXY-5-NITROPHENYL)-N,N-DIETHYL-, (2E)-
Systematic Name English
ENTACAPONE IMPURITY D [EP IMPURITY]
Common Name English
(2E)-2-CYANO-3-(3-ETHOXY-4-HYDROXY-5-NITROPHENYL)-N,N-DIETHYLPROP-2-ENAMIDE
Systematic Name English
Code System Code Type Description
CAS
857629-79-9
Created by admin on Sat Dec 16 05:32:04 GMT 2023 , Edited by admin on Sat Dec 16 05:32:04 GMT 2023
PRIMARY
PUBCHEM
11484393
Created by admin on Sat Dec 16 05:32:04 GMT 2023 , Edited by admin on Sat Dec 16 05:32:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID60235058
Created by admin on Sat Dec 16 05:32:04 GMT 2023 , Edited by admin on Sat Dec 16 05:32:04 GMT 2023
PRIMARY
CHEBI
48380
Created by admin on Sat Dec 16 05:32:04 GMT 2023 , Edited by admin on Sat Dec 16 05:32:04 GMT 2023
PRIMARY
FDA UNII
8KYH8530PC
Created by admin on Sat Dec 16 05:32:04 GMT 2023 , Edited by admin on Sat Dec 16 05:32:04 GMT 2023
PRIMARY