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

Systemtic Name: 6-azanylidene-3-(4-bromophenyl)-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromophenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromophenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromophenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromophenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C22H15BrN4O2 MolecularWeight: 447.2841

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)Br)(C#N)C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)Br)(C#N)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H15BrN4O2/c1-20-17(14-5-3-2-4-6-14)22(13-26,19(27)29-20)21(11-24,12-25)18(28-20)15-7-9-16(23)10-8-15/h2-10,17-18,27H,1H3