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Substance Name: 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-3-((4-nitrophenyl)methylene)-
RN: 78431-35-3
InChIKey: HSMKKLGIJSLBBJ-WQLSENKSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N-O5

Molecular Weight

  • 311.2917
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-7-methoxy-3-((4-nitrophenyl)methylene)-4H-1-benzopyran-4-one
  • 4-18-00-00736 (Beilstein Handbook Reference)
  • BRN 0044047

Systematic Name

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-3-((4-nitrophenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 78431-35-3

System Generated Number

  • 0078431353

Structure Descriptors

InChI

1S/C17H13NO5/c1-22-14-6-7-15-16(9-14)23-10-12(17(15)19)8-11-2-4-13(5-3-11)18(20)21/h2-9H,10H2,1H3/b12-8-

InChIKey

HSMKKLGIJSLBBJ-WQLSENKSSA-N

Smiles

COc1ccc2c(c1)OC/C(=C/c3ccc(cc3)[N+](=O)[O-])/C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 135, 1981.