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Substance Name: 2-Butenoic acid, 4-(2-nitrophenyl)-4-oxo-, (E)-
RN: 80937-24-2
InChIKey: PBLUZBCDLSSYAR-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-N-O5

Molecular Weight

  • 221.1673
 
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Names and Synonyms

Synonyms

  • (E)-4-(2-Nitrophenyl)-4-oxo-2-butenoic acid
  • Acide (E)4-(2-nitrophenyl)-4-oxo 2-butenique
  • Acide (E)4-(2-nitrophenyl)-4-oxo 2-butenique [French]

Systematic Name

  • 2-Butenoic acid, 4-(2-nitrophenyl)-4-oxo-, (E)-

Registry Numbers

CAS Registry Number

  • 80937-24-2

System Generated Number

  • 0080937242

Structure Descriptors

InChI

1S/C10H7NO5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-6H,(H,13,14)/b6-5+

InChIKey

PBLUZBCDLSSYAR-AATRIKPKSA-N

Smiles

c1ccc(c(c1)C(=O)/C=C/C(=O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2481118,