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Substance Name: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-nitrophenoxy)-
RN: 137988-18-2
InChIKey: BOUPYHPGHHGJFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H11-N-O7

Molecular Weight

  • 341.2739
 
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Names and Synonyms

Synonyms

  • 7-(Acetyloxy)-3-(4-nitrophenoxy)-4H-1-benzopyran-4-one
  • BRN 5453991

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-nitrophenoxy)-

Registry Numbers

CAS Registry Number

  • 137988-18-2

System Generated Number

  • 0137988182

Structure Descriptors

InChI

1S/C17H11NO7/c1-10(19)24-13-6-7-14-15(8-13)23-9-16(17(14)20)25-12-4-2-11(3-5-12)18(21)22/h2-9H,1H3

InChIKey

BOUPYHPGHHGJFP-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1800mg/kg (1800mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 816, 1991.