7-azanylidene-3-butyl-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 7-azanylidene-3-butyl-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-butyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-butyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-butyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-butyl-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=CC=C3)CC)C#N)(C#N)C#N

Isomeric SMILES

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=CC=C3)CC)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O2/c1-3-5-11-17-19(12-22,13-23)20(14-24)16(4-2)21(26-17,27-18(20)25)15-9-7-6-8-10-15/h6-10,16-17,25H,3-5,11H2,1-2H3