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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-3-cyclohex-3-en-1-yl-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-3-cyclohex-3-en-1-yl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-3-(1-cyclohex-3-enyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-3-cyclohex-3-en-1-yl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-3-cyclohex-3-en-1-yl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C22H19BrN4O2 MolecularWeight: 451.31586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3CCC=CC3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3CCC=CC3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C22H19BrN4O2/c1-14-21(13-26)19(27)29-22(14,16-7-9-17(23)10-8-16)28-18(20(21,11-24)12-25)15-5-3-2-4-6-15/h2-3,7-10,14-15,18,27H,4-6H2,1H3