O09

(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid

Created:	2009-10-08
Last modified:	2011-06-04

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7 entries where O09 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of O09

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Chemical Component Summary
Name	(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[(E)-(4-carbamimidoylphenyl)methylideneamino]oxyethanoic acid
Formula	C₁₀ H₁₁ N₃ O₃
Molecular Weight	221.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)CO\N=C\c1ccc(C(=[N@H])N)cc1
SMILES	CACTVS	3.352	NC(=N)c1ccc(cc1)C=NOCC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1C=NOCC(=O)O)C(=N)N
Canonical SMILES	CACTVS	3.352	NC(=N)c1ccc(cc1)/C=N/OCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N
InChI	InChI	1.03	InChI=1S/C10H11N3O3/c11-10(12)8-3-1-7(2-4-8)5-13-16-6-9(14)15/h1-5H,6H2,(H3,11,12)(H,14,15)/b13-5+
InChIKey	InChI	1.03	ZLBUXZJWFUDICQ-WLRTZDKTSA-N

Related Resource References

Resource Name	Reference
PubChem	46897863

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