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Substance Name: 2(3H)-Furanone, 3-((3-nitrophenyl)methylene)-5-propyl-
RN: 120388-33-2
InChIKey: QHWXCIUOYMFCAZ-YRNVUSSQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N-O4

Molecular Weight

  • 259.2597
 
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Names and Synonyms

Synonyms

  • 3-((3-Nitrophenyl)methylene)-5-propyl-2(3H)-furanone
  • 5-Propyl-3-(m-nitrobenzylidene)furan-2-one
  • BRN 3556296

Systematic Name

  • 2(3H)-Furanone, 3-((3-nitrophenyl)methylene)-5-propyl-

Registry Numbers

CAS Registry Number

  • 120388-33-2

System Generated Number

  • 0120388332

Structure Descriptors

InChI

1S/C14H13NO4/c1-2-4-13-9-11(14(16)19-13)7-10-5-3-6-12(8-10)15(17)18/h3,5-9H,2,4H2,1H3/b11-7+

InChIKey

QHWXCIUOYMFCAZ-YRNVUSSQSA-N

Smiles

CCCC1=C/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 147, 1989.