1VJ

ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate

Created:2014-02-20
Last modified:  2014-09-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count11
2D diagram of 1VJ

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Nameethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
Systematic Name (OpenEye OEToolkits)ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
FormulaC13 H13 N3 O5
Molecular Weight291.259
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cccc(OCC(=O)OCC)c1)c2nonc2N
SMILESCACTVS3.385CCOC(=O)COc1cccc(c1)C(=O)c2nonc2N
SMILESOpenEye OEToolkits1.9.2CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N
Canonical SMILESCACTVS3.385 CCOC(=O)COc1cccc(c1)C(=O)c2nonc2N
Canonical SMILESOpenEye OEToolkits1.9.2 CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N
InChIInChI1.03 InChI=1S/C13H13N3O5/c1-2-19-10(17)7-20-9-5-3-4-8(6-9)12(18)11-13(14)16-21-15-11/h3-6H,2,7H2,1H3,(H2,14,16)
InChIKeyInChI1.03 NZZKZVXNXRENSN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73386681