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Substance Name: 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-
RN: 131924-53-3
InChIKey: MHOWTVRJSPVYJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-N4-O4

Molecular Weight

  • 272.2192
 
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Names and Synonyms

Synonyms

  • 2-(1-Methyl-1H-1,2,3-triazol-4-yl)-6-nitro-4H-1-benzopyran-4-one
  • BRN 4201461

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-

Registry Numbers

CAS Registry Number

  • 131924-53-3

System Generated Number

  • 0131924533

Structure Descriptors

InChI

1S/C12H8N4O4/c1-15-6-9(13-14-15)12-5-10(17)8-4-7(16(18)19)2-3-11(8)20-12/h2-6H,1H3

InChIKey

MHOWTVRJSPVYJD-UHFFFAOYSA-N

Smiles

Cn1cc(nn1)c2cc(=O)c3cc(ccc3o2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Farmaco. Vol. 45, Pg. 847, 1990.