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

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

Isomeric SMILES

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

InChI

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