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

Systemtic Name: 7-azanylidene-3-(5-bromanyl-2-ethoxy-phenyl)-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(5-bromo-2-ethoxyphenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C25H21BrN4O3 MolecularWeight: 505.36324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)OCC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)OCC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21BrN4O3/c1-3-20-24(15-29)22(30)33-25(20,16-8-6-5-7-9-16)32-21(23(24,13-27)14-28)18-12-17(26)10-11-19(18)31-4-2/h5-12,20-21,30H,3-4H2,1-2H3