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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9N3O5
Molecular Weight 263.2063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N-METHYLPROP-2-ENAMIDE, (2E)-

SMILES

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

InChI

InChIKey=PJVWDBNDLNEXCN-FARCUNLSSA-N
InChI=1S/C11H9N3O5/c1-13-11(17)7(5-12)2-6-3-8(14(18)19)10(16)9(15)4-6/h2-4,15-16H,1H3,(H,13,17)/b7-2+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N-METHYLPROP-2-ENAMIDE, (2E)-
Systematic Name English
ENTACAPONE IMPURITY G [EP IMPURITY]
Common Name English
(2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N-METHYLPROP-2-ENAMIDE
Systematic Name English
2-PROPENAMIDE, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N-METHYL-, (2E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71587989
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
CAS
1364322-41-7
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID80159787
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
FDA UNII
31599TJ137
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
NIH
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