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

Systemtic Name: 6-azanylidene-3-(4-ethoxy-3-methoxy-phenyl)-1-ethyl-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=C(C=C3)OCC)OC)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=C(C=C3)OCC)OC)(C#N)C#N)C#N)C

InChI

InChI=1S/C21H22N4O4/c1-5-21-13(3)20(12-24,18(25)29-21)19(10-22,11-23)17(28-21)14-7-8-15(27-6-2)16(9-14)26-4/h7-9,13,17,25H,5-6H2,1-4H3