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

Systemtic Name: 6-azanylidene-1-ethyl-8-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 1-ethyl-6-imino-8-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-ethyl-6-imino-8-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 1-ethyl-6-imino-8-methyl-3-phenethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 1-ethyl-6-imino-8-methyl-3-phenethyl-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:

CCC12C(C(C(=N)O1)(C(C(O2)CCC3=CC=CC=C3)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)CCC3=CC=CC=C3)(C#N)C#N)C#N)C

InChI

InChI=1S/C20H20N4O2/c1-3-20-14(2)19(13-23,17(24)26-20)18(11-21,12-22)16(25-20)10-9-15-7-5-4-6-8-15/h4-8,14,16,24H,3,9-10H2,1-2H3