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Substance Name: 2-Pyrrolidinone, 5-ethoxy-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-
RN: 114485-83-5
InChIKey: ZBKXCRFTMISRHG-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O6-S

Molecular Weight

  • 340.3544
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrostyrenesulphonyl)-2-oxo-5-ethoxypyrrolidine
  • 5-Ethoxy-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 5-ethoxy-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 114485-83-5

System Generated Number

  • 0114485835

Structure Descriptors

InChI

1S/C14H16N2O6S/c1-2-22-14-8-7-13(17)15(14)23(20,21)10-9-11-3-5-12(6-4-11)16(18)19/h3-6,9-10,14H,2,7-8H2,1H3/b10-9+

InChIKey

ZBKXCRFTMISRHG-MDZDMXLPSA-N

Smiles

CCOC1CCC(=O)N1S(=O)(=O)/C=C/c2ccc(cc2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4810722,