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

Systemtic Name: 6-azanylidene-3-(4-ethoxyphenyl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-ethoxyphenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-3-p-phenetyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)OCC)(C#N)C#N)C#N)CC

Isomeric SMILES

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)OCC)(C#N)C#N)C#N)CC

InChI

InChI=1S/C22H24N4O3/c1-4-11-22-17(5-2)21(14-25,19(26)29-22)20(12-23,13-24)18(28-22)15-7-9-16(10-8-15)27-6-3/h7-10,17-18,26H,4-6,11H2,1-3H3