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

Systemtic Name: 7-azanylidene-3-(5-bromanyl-2-methoxy-phenyl)-5-(3-chlorophenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(5-bromo-2-methoxyphenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-5-(3-chlorophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(5-bromo-2-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=C(C=CC(=C3)Br)OC)C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

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

InChI

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