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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-3-decyl-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-3-decyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-3-decyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-3-decyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-3-decyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C26H31BrN4O2 MolecularWeight: 511.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C26H31BrN4O2/c1-3-4-5-6-7-8-9-10-11-22-24(16-28,17-29)25(18-30)19(2)26(32-22,33-23(25)31)20-12-14-21(27)15-13-20/h12-15,19,22,31H,3-11H2,1-2H3