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Substance Name: Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
RN: 87620-74-4
InChIKey: KDYHPRRSLXBRNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-N2-O5

Molecular Weight

  • 326.3066
 
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Names and Synonyms

Synonyms

  • 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
  • BRN 4562339

Systematic Name

  • Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 87620-74-4

System Generated Number

  • 0087620744

Structure Descriptors

InChI

1S/C17H14N2O5/c1-23-17(20)8-11-2-4-12(5-3-11)15-10-24-16-7-6-13(19(21)22)9-14(16)18-15/h2-7,9H,8,10H2,1H3

InChIKey

KDYHPRRSLXBRNF-UHFFFAOYSA-N

Smiles

COC(=O)Cc1ccc(cc1)C2=Nc3cc(ccc3OC2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 297, 1983.