3-azanylidene-5-butyl-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Systemtic Name: 3-azanylidene-5-butyl-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Openeye Name: 5-butyl-3-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile CAS Name: 5-butyl-3-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile IUPAC Name: 5-butyl-3-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Traditional Name: 5-butyl-3-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCCCC1C2(C(=N)OC(O1)(C(C2(C#N)C#N)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C20H20N4O2/c1-3-4-10-15-20(13-23)17(24)26-18(2,25-15)16(19(20,11-21)12-22)14-8-6-5-7-9-14/h5-9,15-16,24H,3-4,10H2,1-2H3