KED

[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

Created:	2018-04-17
Last modified:	2019-04-17

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1 entries where KED is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of KED

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Chemical Component Summary
Name	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	(2-oxidanylidene-1~{H}-quinolin-4-yl)methylphosphonic acid
Formula	C₁₀ H₁₀ N O₄ P
Molecular Weight	239.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2
SMILES	CACTVS	3.385	O[P](O)(=O)CC1=CC(=O)Nc2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)CC1=CC(=O)Nc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKey	InChI	1.03	KAIABXRDJQYKQE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	130427306

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