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

Systemtic Name: 6-azanylidene-3-(2-ethoxyphenyl)-1-ethyl-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(2-ethoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(2-ethoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(2-ethoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 1-ethyl-6-imino-8-methyl-3-o-phenetyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC=CC=C3OCC)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC=CC=C3OCC)(C#N)C#N)C#N)C

InChI

InChI=1S/C20H20N4O3/c1-4-20-13(3)19(12-23,17(24)27-20)18(10-21,11-22)16(26-20)14-8-6-7-9-15(14)25-5-2/h6-9,13,16,24H,4-5H2,1-3H3