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Substance Name: 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
RN: 953-26-4
InChIKey: PFBQVGXIMLXCQB-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N-O4

Molecular Weight

  • 221.211
 
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Names and Synonyms

Synonyms

  • 1-09-00-00247 (Beilstein Handbook Reference)
  • 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
  • AI3-19857
  • BRN 2052533
  • Cinnamic acid, p-nitro-, ethyl ester
  • EINECS 213-463-0
  • Ethyl 4-nitrocinnamate
  • Ethyl p-nitrocinnamate
  • NSC 4697

Systematic Names

  • 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester
  • Cinnamic acid, p-nitro-, ethyl ester
  • Ethyl 4-nitrocinnamate
  • Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 953-26-4

System Generated Number

  • 0000953264

Structure Descriptors

InChI

1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+

InChIKey

PFBQVGXIMLXCQB-VMPITWQZSA-N

Smiles

[N+](c1ccc(\C=C\C(=O)OCC)cc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 215, 1954.