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Substance Name: Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester
RN: 39562-27-1
InChIKey: APKKCRAKPMSAEI-JXMROGBWSA-N

Molecular Formula

  • C12-H11-N-O5

Molecular Weight

  • 249.2209
 
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Names and Synonyms

Synonym

  • EC 400-650-9

Systematic Names

  • Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester
  • Methyl 2-(2-nitrobenzylidene)acetoacetate

Registry Numbers

CAS Registry Number

  • 39562-27-1

System Generated Number

  • 0039562271

Structure Descriptors

InChI

1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3/b10-7+

InChIKey

APKKCRAKPMSAEI-JXMROGBWSA-N

Smiles

C(=C\c1c([N+](=O)[O-])cccc1)(/C(=O)OC)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 1mg/m3/4H (1mg/m3)   International Journal of Toxicology. Vol. 16(Suppl,
rat LD50 oral > 5gm/kg (5000mg/kg)   International Journal of Toxicology. Vol. 16(Suppl,