2-chloranyl-3-(1-diethoxyphosphoryl-2-oxidanylidene-cyclohexyl)propanenitrile

Systemtic Name: 2-chloranyl-3-(1-diethoxyphosphoryl-2-oxidanylidene-cyclohexyl)propanenitrile Openeye Name: 2-chloro-3-(1-diethoxyphosphoryl-2-oxo-cyclohexyl)propanenitrile CAS Name: 2-chloro-3-(1-diethoxyphosphoryl-2-oxocyclohexyl)propanenitrile IUPAC Name: 2-chloro-3-(1-diethoxyphosphoryl-2-oxocyclohexyl)propanenitrile Traditional Name: 2-chloro-3-(1-diethoxyphosphoryl-2-keto-cyclohexyl)propionitrile Formula: C13H21ClNO4P MolecularWeight: 321.736901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CCCCC1=O)CC(C#N)Cl)OCC

Isomeric SMILES

CCOP(=O)(C1(CCCCC1=O)CC(C#N)Cl)OCC

InChI

InChI=1S/C13H21ClNO4P/c1-3-18-20(17,19-4-2)13(9-11(14)10-15)8-6-5-7-12(13)16/h11H,3-9H2,1-2H3