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

Systemtic Name: 6-azanylidene-3-(2-bromophenyl)-8-ethyl-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(2-bromophenyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(2-bromophenyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(2-bromophenyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(2-bromophenyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC=CC=C3Br)C

Isomeric SMILES

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC=CC=C3Br)C

InChI

InChI=1S/C18H15BrN4O2/c1-3-13-16(2)24-14(11-6-4-5-7-12(11)19)17(8-20,9-21)18(13,10-22)15(23)25-16/h4-7,13-14,23H,3H2,1-2H3