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

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

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=C(C=C3)OCC)OC)C

Isomeric SMILES

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=C(C=C3)OCC)OC)C

InChI

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