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Substance Name: 2-Propenoic acid, 3-((4-chlorophenyl)amino)-2-cyano-3-((iminomethyl)amino)-, ethyl ester
RN: 189109-01-1
InChIKey: BEJNNDMIBWPYFC-QXMHVHEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl-N4-O2

Molecular Weight

  • 292.7247
 
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Names and Synonyms

Synonyms

  • Ethyl 3-((4-chlorophenyl)amino)-2-cyano-3-((iminomethyl)amino)-2-propenoate
  • N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine

Systematic Name

  • 2-Propenoic acid, 3-((4-chlorophenyl)amino)-2-cyano-3-((iminomethyl)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 189109-01-1

System Generated Number

  • 0189109011

Structure Descriptors

InChI

1S/C13H13ClN4O2/c1-2-20-13(19)11(7-15)12(17-8-16)18-10-5-3-9(14)4-6-10/h3-6,8,18H,2H2,1H3,(H2,16,17)/b12-11-

InChIKey

BEJNNDMIBWPYFC-QXMHVHEDSA-N

Smiles

CCOC(=O)/C(=C(/NC=N)\Nc1ccc(cc1)Cl)/C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 4500mg/kg (4500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 47, Pg. 35, 1997.