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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-3-ethyl-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-3-ethyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-3-ethyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-3-ethyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-3-ethyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C18H15BrN4O2 MolecularWeight: 399.2413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C18H15BrN4O2/c1-3-14-16(8-20,9-21)17(10-22)11(2)18(24-14,25-15(17)23)12-4-6-13(19)7-5-12/h4-7,11,14,23H,3H2,1-2H3