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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-4-15(5-2)17-19(11-22,12-23)20(13-24)14(3)21(26-17,27-18(20)25)16-9-7-6-8-10-16/h6-10,14-15,17,25H,4-5H2,1-3H3