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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N3O5
Molecular Weight 277.2328
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DESETHYL-ENTACAPONE

SMILES

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

InChI

InChIKey=HTYFXWJKHSXXFC-FPYGCLRLSA-N
InChI=1S/C12H11N3O5/c1-2-14-12(18)8(6-13)3-7-4-9(15(19)20)11(17)10(16)5-7/h3-5,16-17H,2H2,1H3,(H,14,18)/b8-3+

HIDE SMILES / InChI

Approval Year

Name Type Language
DESETHYL-ENTACAPONE
Common Name English
2-PROPENAMIDE, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N-ETHYL-, (2E)
Systematic Name English
Code System Code Type Description
FDA UNII
0OVY00Q9R7
Created by admin on Sat Dec 16 16:48:05 GMT 2023 , Edited by admin on Sat Dec 16 16:48:05 GMT 2023
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CAS
150995-46-3
Created by admin on Sat Dec 16 16:48:05 GMT 2023 , Edited by admin on Sat Dec 16 16:48:05 GMT 2023
PRIMARY
PUBCHEM
140868195
Created by admin on Sat Dec 16 16:48:05 GMT 2023 , Edited by admin on Sat Dec 16 16:48:05 GMT 2023
PRIMARY