6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile

Systemtic Name: 6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile Openeye Name: 6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile CAS Name: 6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile IUPAC Name: 6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile Traditional Name: 6,7-ditert-butyl-4-phenyl-7-aza-1-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile Formula: C21H24N3P MolecularWeight: 349.409121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2(C(=C(P1N2C(C)(C)C)C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC2(C(=C(P1N2C(C)(C)C)C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H24N3P/c1-19(2,3)18-12-21(15-10-8-7-9-11-15)16(13-22)17(14-23)25(18)24(21)20(4,5)6/h7-12H,1-6H3