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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
RN: 30095-79-5
InChIKey: RWGUGNHDBXRLSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-N-O6

Molecular Weight

  • 263.204
 
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Names and Synonyms

Synonyms

  • 5-18-08-00319 (Beilstein Handbook Reference)
  • BRN 1292011
  • EINECS 250-047-8
  • Ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Names

  • 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
  • Ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate

Registry Numbers

CAS Registry Number

  • 30095-79-5

System Generated Number

  • 0030095795

Structure Descriptors

InChI

1S/C12H9NO6/c1-2-18-12(15)11-6-9(14)8-5-7(13(16)17)3-4-10(8)19-11/h3-6H,2H2,1H3

InChIKey

RWGUGNHDBXRLSD-UHFFFAOYSA-N

Smiles

c1cc2oc(cc(c2cc1[N+]([O-])=O)=O)C(=O)OCC

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.