3-bis[(2,6-dimethoxyphenyl)carbonyl]phosphorylpropanenitrile

Systemtic Name: 3-bis[(2,6-dimethoxyphenyl)carbonyl]phosphorylpropanenitrile Openeye Name: 3-bis(2,6-dimethoxybenzoyl)phosphorylpropanenitrile CAS Name: 3-bis[(2,6-dimethoxyphenyl)-oxomethyl]phosphorylpropanenitrile IUPAC Name: 3-bis(2,6-dimethoxybenzoyl)phosphorylpropanenitrile Traditional Name: 3-bis(2,6-dimethoxybenzoyl)phosphorylpropionitrile Formula: C21H22NO7P MolecularWeight: 431.375641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)P(=O)(CCC#N)C(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)P(=O)(CCC#N)C(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H22NO7P/c1-26-14-8-5-9-15(27-2)18(14)20(23)30(25,13-7-12-22)21(24)19-16(28-3)10-6-11-17(19)29-4/h5-6,8-11H,7,13H2,1-4H3