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

Systemtic Name: 6-azanylidene-3-(1,3-benzodioxol-5-yl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC4=C(C=C3)OCO4)(C#N)C#N)C#N)CC

Isomeric SMILES

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC4=C(C=C3)OCO4)(C#N)C#N)C#N)CC

InChI

InChI=1S/C21H20N4O4/c1-3-7-21-16(4-2)20(11-24,18(25)29-21)19(9-22,10-23)17(28-21)13-5-6-14-15(8-13)27-12-26-14/h5-6,8,16-17,25H,3-4,7,12H2,1-2H3