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Substance Name: 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-
RN: 33549-94-9
InChIKey: KXWDRZJUSGYAEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H11-N-O3

Molecular Weight

  • 277.278
 
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Names and Synonyms

Synonyms

  • 4-Oxo-7-(phenylmethoxy)-4H-1-benzopyran-2-carbonitrile
  • 5-18-09-00080 (Beilstein Handbook Reference)
  • BRN 1389342

Systematic Name

  • 4H-1-Benzopyran-2-carbonitrile, 4-oxo-7-(phenylmethoxy)-

Registry Numbers

CAS Registry Number

  • 33549-94-9

System Generated Number

  • 0033549949

Structure Descriptors

InChI

1S/C17H11NO3/c18-10-14-8-16(19)15-7-6-13(9-17(15)21-14)20-11-12-4-2-1-3-5-12/h1-9H,11H2

InChIKey

KXWDRZJUSGYAEZ-UHFFFAOYSA-N

Smiles

c1(cc(c2c(o1)cc(cc2)OCc1ccccc1)=O)C#N

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.