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

Systemtic Name: 6-azanylidene-3-(5-bromanyl-2-ethoxy-phenyl)-1-ethyl-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(5-bromo-2-ethoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)C3=C(C=CC(=C3)Br)OCC)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)C3=C(C=CC(=C3)Br)OCC)(C#N)C#N)C#N)C

InChI

InChI=1S/C20H19BrN4O3/c1-4-20-12(3)19(11-24,17(25)28-20)18(9-22,10-23)16(27-20)14-8-13(21)6-7-15(14)26-5-2/h6-8,12,16,25H,4-5H2,1-3H3