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Substance Name: 2-Isoindolineacetic acid, 1,3-dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-
RN: 73837-59-9
InChIKey: DPWOSPPSFSUKHY-UHFFFAOYSA-N

Molecular Formula

  • C17-H12-N2-O7

Molecular Weight

  • 356.289
 
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Names and Synonyms

Synonyms

  • 1,3-Dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-2-isoindolineacetic acid
  • NSC 106920

Systematic Names

  • 2-Isoindolineacetic acid, 1,3-dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-
  • 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-((4-hydroxy-3-nitrophenyl)methyl)-1,3-dioxo- (9CI)

Registry Numbers

CAS Registry Number

  • 73837-59-9

System Generated Number

  • 0073837599

Structure Descriptors

InChI

1S/C17H12N2O7/c20-14-6-5-9(7-12(14)19(25)26)8-13(17(23)24)18-15(21)10-3-1-2-4-11(10)16(18)22/h1-7,13,20H,8H2,(H,23,24)

InChIKey

DPWOSPPSFSUKHY-UHFFFAOYSA-N

Smiles

N1([C@@H](Cc2cc(c(O)cc2)[N+](=O)[O-])C(O)=O)C(c2ccccc2C1=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07002,