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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-8-methyl-3-undecyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-undecyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-undecyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-undecyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-undecyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C27H33BrN4O2 MolecularWeight: 525.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C27H33BrN4O2/c1-3-4-5-6-7-8-9-10-11-12-23-25(17-29,18-30)26(19-31)20(2)27(33-23,34-24(26)32)21-13-15-22(28)16-14-21/h13-16,20,23,32H,3-12H2,1-2H3