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

Systemtic Name: 6-azanylidene-3-(3-bromophenyl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(3-bromophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(3-bromophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(3-bromophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(3-bromophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2/c1-3-8-20-15(4-2)19(12-24,17(25)27-20)18(10-22,11-23)16(26-20)13-6-5-7-14(21)9-13/h5-7,9,15-16,25H,3-4,8H2,1-2H3