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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C#N

InChI

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