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

Systemtic Name: 7-azanylidene-3-(3-bromophenyl)-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(3-bromophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(3-bromophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(3-bromophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(3-bromophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C23H17BrN4O2 MolecularWeight: 461.31068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=CC=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=CC=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H17BrN4O2/c1-2-18-22(14-27)20(28)30-23(18,16-8-4-3-5-9-16)29-19(21(22,12-25)13-26)15-7-6-10-17(24)11-15/h3-11,18-19,28H,2H2,1H3