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Substance Name: 2H-1-Benzopyran-2-one, 7-methoxy-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-
RN: 68746-87-2
InChIKey: QRPSNVRKDQNZJZ-NSCUHMNNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-N-O6

Molecular Weight

  • 313.2639
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68746-87-2

System Generated Number

  • 0068746872

Structure Descriptors

InChI

1S/C16H11NO6/c1-21-12-4-6-13-10(8-16(18)23-14(13)9-12)2-3-11-5-7-15(22-11)17(19)20/h2-9H,1H3/b3-2+

InChIKey

QRPSNVRKDQNZJZ-NSCUHMNNSA-N

Smiles

COc1ccc2c(cc(=O)oc2c1)/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.