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

Systemtic Name: 7-azanylidene-3-(3-bromanyl-4-methoxy-phenyl)-5-(3-chlorophenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(3-bromo-4-methoxyphenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C23H16BrClN4O3 MolecularWeight: 511.75514

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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)Cl)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)Cl)C#N

InChI

InChI=1S/C23H16BrClN4O3/c1-13-22(12-28)20(29)32-23(13,15-4-3-5-16(25)9-15)31-19(21(22,10-26)11-27)14-6-7-18(30-2)17(24)8-14/h3-9,13,19,29H,1-2H3