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Substance Name: 4H-1-Benzopyran-2-carbonitrile, 8-methyl-6-nitro-4-oxo-
RN: 38243-68-4
InChIKey: OLERMQLITSXSIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H6-N2-O4

Molecular Weight

  • 230.1784
 
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Names and Synonyms

Synonyms

  • 5-18-08-00341 (Beilstein Handbook Reference)
  • 8-Methyl-6-nitro-4-oxo-4H-1-benzopyran-2-carbonitrile
  • BRN 1384721

Systematic Name

  • 4H-1-Benzopyran-2-carbonitrile, 8-methyl-6-nitro-4-oxo-

Registry Numbers

CAS Registry Number

  • 38243-68-4

System Generated Number

  • 0038243684

Structure Descriptors

InChI

1S/C11H6N2O4/c1-6-2-7(13(15)16)3-9-10(14)4-8(5-12)17-11(6)9/h2-4H,1H3

InChIKey

OLERMQLITSXSIX-UHFFFAOYSA-N

Smiles

Cc1cc(cc2c1oc(cc2=O)C#N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.