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

Systemtic Name: 6-azanylidene-8-ethyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-6-imino-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-6-imino-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-6-imino-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)(C#N)C#N)C#N)CC

Isomeric SMILES

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)(C#N)C#N)C#N)CC

InChI

InChI=1S/C21H19N5O6/c1-3-5-21-16(4-2)20(10-24,18(25)32-21)19(8-22,9-23)17(31-21)12-6-14-15(30-11-29-14)7-13(12)26(27)28/h6-7,16-17,25H,3-5,11H2,1-2H3