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

Systemtic Name: 6-azanylidene-1-ethyl-8-methyl-3-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-benzyl-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-ethyl-6-imino-8-methyl-3-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-benzyl-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-benzyl-1-ethyl-6-imino-8-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(C(=N)O1)(C(C(O2)CC3=CC=CC=C3)(C#N)C#N)C#N)C

Isomeric SMILES

CCC12C(C(C(=N)O1)(C(C(O2)CC3=CC=CC=C3)(C#N)C#N)C#N)C

InChI

InChI=1S/C19H18N4O2/c1-3-19-13(2)18(12-22,16(23)25-19)17(10-20,11-21)15(24-19)9-14-7-5-4-6-8-14/h4-8,13,15,23H,3,9H2,1-2H3