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Substance Name: Ethyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
RN: 116314-52-4
UNII: J85I78QXHX
InChIKey: KZGBADQGBKGUGS-FPYGCLRLSA-N

Molecular Weight

  • 278.219
 
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Names and Synonyms

Name of Substance

  • Ethyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate

Synonyms

  • 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-, ethyl ester
  • Entacapone impurity B [EP]
  • Ethyl (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
  • OR 545
  • OR-545
  • UNII-J85I78QXHX

Registry Numbers

CAS Registry Number

  • 116314-52-4

FDA UNII

  • J85I78QXHX

System Generated Number

  • 0116314524

Structure Descriptors

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+

InChIKey

KZGBADQGBKGUGS-FPYGCLRLSA-N

Smiles

CCOC(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N