2NX

dimethyl benzoylphosphoramidate

Created:	2013-12-11
Last modified:	2013-12-25

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1 entries where 2NX 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 2NX

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Chemical Component Summary
Name	dimethyl benzoylphosphoramidate
Systematic Name (OpenEye OEToolkits)	N-dimethoxyphosphorylbenzamide
Formula	C₉ H₁₂ N O₄ P
Molecular Weight	229.17
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NP(=O)(OC)OC)c1ccccc1
SMILES	CACTVS	3.385	CO[P](=O)(NC(=O)c1ccccc1)OC
SMILES	OpenEye OEToolkits	1.7.6	COP(=O)(NC(=O)c1ccccc1)OC
Canonical SMILES	CACTVS	3.385	CO[P](=O)(NC(=O)c1ccccc1)OC
Canonical SMILES	OpenEye OEToolkits	1.7.6	COP(=O)(NC(=O)c1ccccc1)OC
InChI	InChI	1.03	InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)
InChIKey	InChI	1.03	IJZVLPFIUWFOFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5915288, 1581370
CCDC/CSD	BIBTIP

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