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Substance Name: 2H-1-Benzopyran-2-one, 6-chloro-7-methyl-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-
RN: 68746-94-1
InChIKey: DLMSJDUUPWREJL-NSCUHMNNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-Cl-N-O5

Molecular Weight

  • 331.71
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68746-94-1

System Generated Number

  • 0068746941

Structure Descriptors

InChI

1S/C16H10ClNO5/c1-9-6-14-12(8-13(9)17)10(7-16(19)23-14)2-3-11-4-5-15(22-11)18(20)21/h2-8H,1H3/b3-2+

InChIKey

DLMSJDUUPWREJL-NSCUHMNNSA-N

Smiles

Cc1cc2c(cc1Cl)c(cc(=O)o2)/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.