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

Systemtic Name: 6-azanylidene-1-ethyl-8-methyl-3-(4-propan-2-ylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 1-ethyl-6-imino-3-(4-isopropylphenyl)-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-ethyl-6-imino-8-methyl-3-(4-propan-2-ylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 1-ethyl-6-imino-8-methyl-3-(4-propan-2-ylphenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 1-ethyl-6-imino-8-methyl-3-p-cumenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-5-21-14(4)20(12-24,18(25)27-21)19(10-22,11-23)17(26-21)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,17,25H,5H2,1-4H3