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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-8-methyl-3-pentyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-pentyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-pentyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-pentyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-amyl-5-(4-bromophenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C21H21BrN4O2/c1-3-4-5-6-17-19(11-23,12-24)20(13-25)14(2)21(27-17,28-18(20)26)15-7-9-16(22)10-8-15/h7-10,14,17,26H,3-6H2,1-2H3