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

Systemtic Name: 6-azanylidene-3-(5-bromanyl-2-ethoxy-phenyl)-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(5-bromo-2-ethoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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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=CC(=C3)Br)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O3/c1-4-6-16-19(3)28-17(14-9-13(22)7-8-15(14)27-5-2)20(10-23,11-24)21(16,12-25)18(26)29-19/h7-9,16-17,26H,4-6H2,1-3H3