Y06

(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid

Created: 2012-02-01
Last modified:  2013-07-31

Find related ligands:

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count12
2D diagram of Y06

Chemical Component Summary

Name(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)[2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
FormulaC14 H13 Cl N O5 P
Molecular Weight341.683
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)ccc2
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O
Canonical SMILESCACTVS3.370 O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O
InChIInChI1.03 InChI=1S/C14H13ClNO5P/c15-10-4-3-5-11(8-10)16-14(17)9-21-12-6-1-2-7-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)
InChIKeyInChI1.03 FTNJLVOFZPLMJE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16418108