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

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

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4)C#N

InChI

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