2-[(1E)-1-[(4-bromophenyl)-diethoxyphosphoryl-methyl]imino-2-methyl-propan-2-yl]propanedinitrile

Systemtic Name: 2-[(1E)-1-[(4-bromophenyl)-diethoxyphosphoryl-methyl]imino-2-methyl-propan-2-yl]propanedinitrile Openeye Name: 2-[(2E)-2-[(4-bromophenyl)-diethoxyphosphoryl-methyl]imino-1,1-dimethyl-ethyl]propanedinitrile CAS Name: 2-[(1E)-1-[(4-bromophenyl)-diethoxyphosphorylmethyl]imino-2-methylpropan-2-yl]propanedinitrile IUPAC Name: 2-[(1E)-1-[(4-bromophenyl)-diethoxyphosphorylmethyl]imino-2-methylpropan-2-yl]propanedinitrile Traditional Name: 2-[(2E)-2-[(4-bromophenyl)-diethoxyphosphoryl-methyl]imino-1,1-dimethyl-ethyl]malononitrile Formula: C18H23BrN3O3P MolecularWeight: 440.271281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)Br)/N=C/C(C)(C)C(C#N)C#N)OCC

InChI

InChI=1S/C18H23BrN3O3P/c1-5-24-26(23,25-6-2)17(14-7-9-16(19)10-8-14)22-13-18(3,4)15(11-20)12-21/h7-10,13,15,17H,5-6H2,1-4H3/b22-13+