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

Systemtic Name: 6-azanylidene-3-(3-bromophenyl)-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(3-bromophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(3-bromophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(3-bromophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(3-bromophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H17BrN4O2 MolecularWeight: 413.26788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O2/c1-3-5-14-17(2)25-15(12-6-4-7-13(20)8-12)18(9-21,10-22)19(14,11-23)16(24)26-17/h4,6-8,14-15,24H,3,5H2,1-2H3