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Substance Name: Benzonitrile, 2,3-dihydroxy-5-nitro-
RN: 116314-86-4
InChIKey: NNQAESZIAYMADQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-N2-O4

Molecular Weight

  • 180.1186
 
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Names and Synonyms

Synonym

  • 2,3-Dihydroxy-5-nitrobenzonitrile

Systematic Name

  • Benzonitrile, 2,3-dihydroxy-5-nitro-

Registry Numbers

CAS Registry Number

  • 116314-86-4

System Generated Number

  • 0116314864

Structure Descriptors

InChI

1S/C7H4N2O4/c8-3-4-1-5(9(12)13)2-6(10)7(4)11/h1-2,10-11H

InChIKey

NNQAESZIAYMADQ-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1C#N)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1250mg/kg (1250mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.