Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester
RN: 100596-39-2
InChIKey: NZUIFJUDFWPJPN-UHFFFAOYSA-N

Molecular Formula

  • C18-H15-N-O9

Molecular Weight

  • 389.3145
 
* 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

Synonym

  • Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate

Systematic Name

  • 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 100596-39-2

System Generated Number

  • 0100596392

Structure Descriptors

InChI

1S/C18H15NO9/c1-25-16(20)10-4-5-15(14(9-10)19(23)24)28-13-7-11(17(21)26-2)6-12(8-13)18(22)27-3/h4-9H,1-3H3

InChIKey

NZUIFJUDFWPJPN-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc2cc(cc(c2)C(=O)OC)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 80, 1986.
mammal (species unspecified) LD50 oral > 10gm/kg (10000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 80, 1986.