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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C20H19BrN4O2/c1-3-4-5-16-18(10-22,11-23)19(12-24)13(2)20(26-16,27-17(19)25)14-6-8-15(21)9-7-14/h6-9,13,16,25H,3-5H2,1-2H3