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

Systemtic Name: 7-azanylidene-3-(5-bromanyl-2-ethoxy-phenyl)-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(5-bromo-2-ethoxyphenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(5-bromo-2-ethoxy-phenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C24H19BrN4O3 MolecularWeight: 491.33666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N

InChI

InChI=1S/C24H19BrN4O3/c1-3-30-19-10-9-17(25)11-18(19)20-22(12-26,13-27)23(14-28)15(2)24(31-20,32-21(23)29)16-7-5-4-6-8-16/h4-11,15,20,29H,3H2,1-2H3