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

Systemtic Name: 7-azanylidene-8-ethyl-3-(2-methylpropyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 8-ethyl-7-imino-3-isobutyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 8-ethyl-7-imino-3-(2-methylpropyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 8-ethyl-7-imino-3-(2-methylpropyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 8-ethyl-7-imino-3-isobutyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-4-16-20(13-24)18(25)27-21(16,15-8-6-5-7-9-15)26-17(10-14(2)3)19(20,11-22)12-23/h5-9,14,16-17,25H,4,10H2,1-3H3