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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15N3O5
Molecular Weight 317.2967
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,4-DIHYDROXY-5-NITROPHENYL)-2-(PIPERIDIN-1-YLCARBONYL)PROP-2-ENNITRILE, (2E)-

SMILES

OC1=CC(=CC(=C1O)[N+]([O-])=O)\C=C(/C#N)C(=O)N2CCCCC2

InChI

InChIKey=NVHDZUJODMCISU-IZZDOVSWSA-N
InChI=1S/C15H15N3O5/c16-9-11(15(21)17-4-2-1-3-5-17)6-10-7-12(18(22)23)14(20)13(19)8-10/h6-8,19-20H,1-5H2/b11-6+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-PIPERIDINEPROPANENITRILE, .ALPHA.-((3,4-DIHYDROXY-5-NITROPHENYL)METHYLENE)-.BETA.-OXO-, (.ALPHA.E)-
Preferred Name English
3-(3,4-DIHYDROXY-5-NITROPHENYL)-2-(PIPERIDIN-1-YLCARBONYL)PROP-2-ENNITRILE, (2E)-
Systematic Name English
(2E)-3-(3,4-DIHYDROXY-5-NITROPHENYL)-2-(PIPERIDIN-1-YLCARBONYL)PROP-2-ENNITRILE
Systematic Name English
ENTACAPONE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
44592489
Created by admin on Mon Mar 31 21:30:23 GMT 2025 , Edited by admin on Mon Mar 31 21:30:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID60150934
Created by admin on Mon Mar 31 21:30:23 GMT 2025 , Edited by admin on Mon Mar 31 21:30:23 GMT 2025
PRIMARY
FDA UNII
WJ22C9I6H9
Created by admin on Mon Mar 31 21:30:23 GMT 2025 , Edited by admin on Mon Mar 31 21:30:23 GMT 2025
PRIMARY
CAS
1150310-15-8
Created by admin on Mon Mar 31 21:30:23 GMT 2025 , Edited by admin on Mon Mar 31 21:30:23 GMT 2025
PRIMARY
NIH
NCATS
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