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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N2O6
Molecular Weight 292.2442
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PROPYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE

SMILES

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

InChI

InChIKey=FKCZGPKFDJMUSV-RUDMXATFSA-N
InChI=1S/C13H12N2O6/c1-2-3-21-13(18)9(7-14)4-8-5-10(15(19)20)12(17)11(16)6-8/h4-6,16-17H,2-3H2,1H3/b9-4+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
PROPYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE
Systematic Name English
ENTACAPONE IMPURITY I [EP IMPURITY]
Common Name English
2-PROPENOIC ACID, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-, PROPYL ESTER, (2E)-
Common Name English
Code System Code Type Description
PUBCHEM
71587990
Created by admin on Sat Dec 16 04:52:53 GMT 2023 , Edited by admin on Sat Dec 16 04:52:53 GMT 2023
PRIMARY
FDA UNII
70N628ATGT
Created by admin on Sat Dec 16 04:52:53 GMT 2023 , Edited by admin on Sat Dec 16 04:52:53 GMT 2023
PRIMARY
CAS
1364322-42-8
Created by admin on Sat Dec 16 04:52:53 GMT 2023 , Edited by admin on Sat Dec 16 04:52:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID40159788
Created by admin on Sat Dec 16 04:52:53 GMT 2023 , Edited by admin on Sat Dec 16 04:52:53 GMT 2023
PRIMARY
NIH
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