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

Systemtic Name: 6-azanylidene-3-(3-bromanyl-4-methoxy-phenyl)-1-ethyl-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=C(C=C3)OC)Br)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=C(C=C3)OC)Br)(C#N)C#N)C#N)C

InChI

InChI=1S/C19H17BrN4O3/c1-4-19-11(2)18(10-23,16(24)27-19)17(8-21,9-22)15(26-19)12-5-6-14(25-3)13(20)7-12/h5-7,11,15,24H,4H2,1-3H3