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

Systemtic Name: 6-azanylidene-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(CO2)(C#N)C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC12C(C(C(=N)O1)(C(CO2)(C#N)C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c1-15-13(7-12-5-3-2-4-6-12)17(10-20,14(21)23-15)16(8-18,9-19)11-22-15/h2-6,13,21H,7,11H2,1H3