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Substance Name: 2H-1-Benzopyran-2-one, 6,7-dimethyl-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-
RN: 68746-93-0
InChIKey: WLXJLMMLLKHCRN-ONEGZZNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N-O5

Molecular Weight

  • 311.2917
 
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Names and Synonyms

Synonyms

  • (E)-6,7-Dimethyl-4-(2-(5-nitro-2-furanyl)ethenyl)-2H-1-benzopyran-2-one
  • 6,7-Dimethyl-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 6,7-dimethyl-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 68746-93-0

System Generated Number

  • 0068746930

Structure Descriptors

InChI

1S/C17H13NO5/c1-10-7-14-12(9-17(19)23-15(14)8-11(10)2)3-4-13-5-6-16(22-13)18(20)21/h3-9H,1-2H3/b4-3+

InChIKey

WLXJLMMLLKHCRN-ONEGZZNKSA-N

Smiles

Cc1cc2c(cc(=O)oc2cc1C)/C=C/c3ccc(o3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 16, Pg. 704, 1978.