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Substance Name: 3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-
RN: 83748-27-0
InChIKey: YOXAAGNCYGONKU-FMQUCBEESA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C16-H14-Cl-N5-O4

Molecular Weight

  • 375.771
 
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Names and Synonyms

  • 3-Pyridinecarbonitrile, 5-((4-chloro-2-nitrophenyl)azo)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-
  • 3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-

Registry Numbers

CAS Registry Number

  • 83748-27-0

System Generated Number

  • 0083748270

Structure Descriptors

InChI

1S/C16H14ClN5O4/c1-3-6-21-15(23)11(8-18)9(2)14(16(21)24)20-19-12-5-4-10(17)7-13(12)22(25)26/h4-5,7,23H,3,6H2,1-2H3/b20-19+

InChIKey

YOXAAGNCYGONKU-FMQUCBEESA-N

Smiles

c1(c(c(c(c(n1CCC)=O)\N=N\c1c(cc(cc1)Cl)[N+](=O)[O-])C)C#N)O