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Substance Name: 2(3H)-Benzoxazolone, 6-(3-(4-nitrophenyl)-1-oxo-2-propenyl)-
RN: 54903-29-6
InChIKey: LZAPZSIPXRCLLP-FPYGCLRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-N2-O5

Molecular Weight

  • 310.264
 
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Names and Synonyms

Synonyms

  • 6-(3-(4-Nitrophenyl)-1-oxo-2-propenyl)-2(3H)-benzoxazolone
  • BRN 1150776
  • JPB 59

Systematic Name

  • 2(3H)-Benzoxazolone, 6-(3-(4-nitrophenyl)-1-oxo-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 54903-29-6

System Generated Number

  • 0054903296

Structure Descriptors

InChI

1S/C16H10N2O5/c19-14(8-3-10-1-5-12(6-2-10)18(21)22)11-4-7-13-15(9-11)23-16(20)17-13/h1-9H,(H,17,20)/b8-3+

InChIKey

LZAPZSIPXRCLLP-FPYGCLRLSA-N

Smiles

c1cc(ccc1/C=C/C(=O)c2ccc3c(c2)oc(=O)[nH]3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 497, 1974.