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

Systemtic Name: 7-azanylidene-3-(5-bromanyl-2-fluoranyl-phenyl)-5-(3-chlorophenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(5-bromo-2-fluoro-phenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(5-bromo-2-fluorophenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(5-bromo-2-fluorophenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(5-bromo-2-fluoro-phenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C22H13BrClFN4O2 MolecularWeight: 499.719623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)F)C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)F)C4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C22H13BrClFN4O2/c1-12-21(11-28)19(29)31-22(12,13-3-2-4-15(24)7-13)30-18(20(21,9-26)10-27)16-8-14(23)5-6-17(16)25/h2-8,12,18,29H,1H3