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

Systemtic Name: 6-azanylidene-3-(2-ethoxyphenyl)-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(2-ethoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(2-ethoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(2-ethoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-1-methyl-3-o-phenetyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC=CC=C3OCC)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC=CC=C3OCC)C

InChI

InChI=1S/C21H22N4O3/c1-4-8-16-19(3)27-17(14-9-6-7-10-15(14)26-5-2)20(11-22,12-23)21(16,13-24)18(25)28-19/h6-7,9-10,16-17,25H,4-5,8H2,1-3H3