2-diethoxyphosphoryl-4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)but-2-enenitrile

Systemtic Name: 2-diethoxyphosphoryl-4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)but-2-enenitrile Openeye Name: 3-benzoyl-2-diethoxyphosphoryl-4-oxo-4-phenyl-but-2-enenitrile CAS Name: 3-benzoyl-2-diethoxyphosphoryl-4-oxo-4-phenyl-2-butenenitrile IUPAC Name: 3-benzoyl-2-diethoxyphosphoryl-4-oxo-4-phenylbut-2-enenitrile Traditional Name: 3-benzoyl-2-diethoxyphosphoryl-4-keto-4-phenyl-but-2-enenitrile Formula: C21H20NO5P MolecularWeight: 397.360961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C#N)OCC

Isomeric SMILES

CCOP(=O)(C(=C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C#N)OCC

InChI

InChI=1S/C21H20NO5P/c1-3-26-28(25,27-4-2)18(15-22)19(20(23)16-11-7-5-8-12-16)21(24)17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3