3-azanylidene-1,7-dimethyl-5-pyridin-4-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Systemtic Name: 3-azanylidene-1,7-dimethyl-5-pyridin-4-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Openeye Name: 3-imino-1,7-dimethyl-5-(4-pyridyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile CAS Name: 3-imino-1,7-dimethyl-5-pyridin-4-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile IUPAC Name: 3-imino-1,7-dimethyl-5-pyridin-4-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Traditional Name: 3-imino-1,7-dimethyl-5-(4-pyridyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=NC=C3)C

Isomeric SMILES

CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=NC=C3)C

InChI

InChI=1S/C16H13N5O2/c1-10-14(2)22-12(11-3-5-21-6-4-11)16(9-19,13(20)23-14)15(10,7-17)8-18/h3-6,10,12,20H,1-2H3