Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Orthobenzoic acid, p-nitro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-13-3
InChIKey: VVPKWRHWBOSLMT-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-N-O5

Molecular Weight

  • 293.317
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(4-Nitrophenyl)-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-nitrophenyl)-
  • p-Nitroorthobenzoic acid cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, p-nitro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-13-3

System Generated Number

  • 0097720133

Structure Descriptors

InChI

1S/C15H19NO5/c1-13(2,3)14-8-19-15(20-9-14,21-10-14)11-4-6-12(7-5-11)16(17)18/h4-7H,8-10H2,1-3H3

InChIKey

VVPKWRHWBOSLMT-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2900ug/kg (2.9mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.