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

Systemtic Name: 6-azanylidene-3-(5-bromanyl-2-methoxy-phenyl)-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(5-bromo-2-methoxyphenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C23H17BrN4O3 MolecularWeight: 477.31008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN4O3/c1-21-18(14-6-4-3-5-7-14)23(13-27,20(28)31-21)22(11-25,12-26)19(30-21)16-10-15(24)8-9-17(16)29-2/h3-10,18-19,28H,1-2H3