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

Systemtic Name: 7-azanylidene-3-(5-bromanyl-2-fluoranyl-phenyl)-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(5-bromo-2-fluoro-phenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(5-bromo-2-fluorophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(5-bromo-2-fluorophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(5-bromo-2-fluoro-phenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C23H16BrFN4O2 MolecularWeight: 479.301143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrFN4O2/c1-2-18-22(13-28)20(29)31-23(18,14-6-4-3-5-7-14)30-19(21(22,11-26)12-27)16-10-15(24)8-9-17(16)25/h3-10,18-19,29H,2H2,1H3