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

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

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=C(C=CC(=C3)Br)OCC)C

Isomeric SMILES

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=C(C=CC(=C3)Br)OCC)C

InChI

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