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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCC(CC)C1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C21H21BrN4O2/c1-4-14(5-2)17-19(10-23,11-24)20(12-25)13(3)21(27-17,28-18(20)26)15-6-8-16(22)9-7-15/h6-9,13-14,17,26H,4-5H2,1-3H3