HAO

{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

Created: 2010-07-01
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6
2D diagram of HAO

Chemical Component Summary

Name{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Systematic Name (OpenEye OEToolkits)2-[[3-(aminocarbamoyl)-4-methoxy-phenyl]amino]-2-oxidanylidene-ethanoic acid
FormulaC10 H11 N3 O5
Molecular Weight253.211
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
SMILESCACTVS3.370COc1ccc(NC(=O)C(O)=O)cc1C(=O)NN
SMILESOpenEye OEToolkits1.7.6COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O
Canonical SMILESCACTVS3.370 COc1ccc(NC(=O)C(O)=O)cc1C(=O)NN
Canonical SMILESOpenEye OEToolkits1.7.6 COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O
InChIInChI1.03 InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyInChI1.03 GRLLMVZTTMERGI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 49867081