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Substance Name: 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
RN: 162828-18-4
InChIKey: SRBZUTFGDOFIEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N3-O4

Molecular Weight

  • 311.2957
 
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Names and Synonyms

Synonyms

  • Methyl 3-cyano-2,6-dimethyl-4-(2-nitrophenyl)pyridine-5-carboxylate
  • Methyl 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylate

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 162828-18-4

System Generated Number

  • 0162828184

Structure Descriptors

InChI

1S/C16H13N3O4/c1-9-12(8-17)15(14(10(2)18-9)16(20)23-3)11-6-4-5-7-13(11)19(21)22/h4-7H,1-3H3

InChIKey

SRBZUTFGDOFIEM-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2[N+](=O)[O-])C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4859663,