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

Systemtic Name: 6-azanylidene-3-(5-bromanyl-2-ethoxy-phenyl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(5-bromo-2-ethoxyphenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(C(C(=N)O1)(C(C(O2)C3=C(C=CC(=C3)Br)OCC)(C#N)C#N)C#N)CC

Isomeric SMILES

CCCC12C(C(C(=N)O1)(C(C(O2)C3=C(C=CC(=C3)Br)OCC)(C#N)C#N)C#N)CC

InChI

InChI=1S/C22H23BrN4O3/c1-4-9-22-17(5-2)21(13-26,19(27)30-22)20(11-24,12-25)18(29-22)15-10-14(23)7-8-16(15)28-6-3/h7-8,10,17-18,27H,4-6,9H2,1-3H3