N,N-dimethyl-1-phenyl-methanamine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphanyl-5-ethoxy-5-oxidanylidene-pent-1-enylidene)azanide

Systemtic Name: N,N-dimethyl-1-phenyl-methanamine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphanyl-5-ethoxy-5-oxidanylidene-pent-1-enylidene)azanide Openeye Name: N,N-dimethyl-1-phenyl-methanamine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphanyl-5-ethoxy-5-oxo-pent-1-enylidene)azanide CAS Name: N,N-dimethyl-1-phenylmethanamine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphino-5-ethoxy-5-oxopent-1-enylidene)azanide IUPAC Name: N,N-dimethyl-1-phenylmethanamine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphanyl-5-ethoxy-5-oxopent-1-enylidene)azanide Traditional Name: benzyl(dimethyl)amine; palladium(2+); (2,3,3-tricyano-4-diphenylphosphino-5-ethoxy-5-keto-pent-1-enylidene)azanide Formula: C31H28N5O2PPd MolecularWeight: 639.980081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#N)(C#N)C(=C=[N-])C#N)P(C1=CC=CC=C1)C2=CC=CC=C2.CN(C)CC1=C[C-]=CC=C1.[Pd+2]

Isomeric SMILES

CCOC(=O)C(C(C#N)(C#N)C(=C=[N-])C#N)P(C1=CC=CC=C1)C2=CC=CC=C2.CN(C)CC1=C[C-]=CC=C1.[Pd+2]

InChI

InChI=1S/C22H16N4O2P.C9H12N.Pd/c1-2-28-21(27)20(22(15-25,16-26)17(13-23)14-24)29(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-10(2)8-9-6-4-3-5-7-9;/h3-12,20H,2H2,1H3;3-4,6-7H,8H2,1-2H3;/q2*-1;+2