6-azanylidene-3-butyl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-3-butyl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-butyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-butyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-butyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-butyl-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

InChI

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