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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N2O6
Molecular Weight 278.2176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=KZGBADQGBKGUGS-FPYGCLRLSA-N
InChI=1S/C12H10N2O6/c1-2-20-12(17)8(6-13)3-7-4-9(14(18)19)11(16)10(15)5-7/h3-5,15-16H,2H2,1H3/b8-3+

HIDE SMILES / InChI

Approval Year

Name Type Language
ETHYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE
Systematic Name English
OR-545
Code English
2-PROPENOIC ACID, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-, ETHYL ESTER
Common Name English
ENTACAPONE IMPURITY B [EP IMPURITY]
Common Name English
OR 545
Code English
Code System Code Type Description
FDA UNII
J85I78QXHX
Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
PRIMARY
CAS
116314-52-4
Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID40151348
Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
PRIMARY
PUBCHEM
44380432
Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
PRIMARY