6-azanylidene-3-cyclohex-3-en-1-yl-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-3-cyclohex-3-en-1-yl-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-cyclohex-3-en-1-yl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(1-cyclohex-3-enyl)-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-cyclohex-3-en-1-yl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-cyclohex-3-en-1-yl-6-imino-8-(4-methoxyphenyl)-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3CCC=CC3)(C#N)C#N)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3CCC=CC3)(C#N)C#N)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N4O3/c1-21-18(15-8-10-17(28-2)11-9-15)23(14-26,20(27)30-21)22(12-24,13-25)19(29-21)16-6-4-3-5-7-16/h3-4,8-11,16,18-19,27H,5-7H2,1-2H3