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2NX

Summary
Name:dimethyl benzoylphosphoramidate
Formula:C9 H12 N O4 P
Formal charge:0
Formula weight:229.17 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01dimethyl benzoylphosphoramidate
OpenEye OEToolkits1.7.6N-dimethoxyphosphorylbenzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NP(=O)(OC)OC)c1ccccc1
InChIInChI1.03InChI=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)
InChIKeyInChI1.03IJZVLPFIUWFOFA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CO[P](=O)(NC(=O)c1ccccc1)OC
SMILESCACTVS3.385CO[P](=O)(NC(=O)c1ccccc1)OC
SMILES_CANONICALOpenEye OEToolkits1.7.6COP(=O)(NC(=O)c1ccccc1)OC
SMILESOpenEye OEToolkits1.7.6COP(=O)(NC(=O)c1ccccc1)OC

224931

PDB entries from 2024-09-11

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