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

Systemtic Name: 6-azanylidene-3-(4-bromanyl-2-fluoranyl-phenyl)-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromo-2-fluoro-phenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromo-2-fluorophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromo-2-fluorophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromo-2-fluoro-phenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H16BrFN4O2 MolecularWeight: 431.258343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C19H16BrFN4O2/c1-3-4-14-17(2)26-15(12-6-5-11(20)7-13(12)21)18(8-22,9-23)19(14,10-24)16(25)27-17/h5-7,14-15,25H,3-4H2,1-2H3