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

Systemtic Name: 6-azanylidene-3-(4-chloranyl-3-nitro-phenyl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-chloro-3-nitro-phenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-chloro-3-nitrophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-chloro-3-nitrophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-chloro-3-nitro-phenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O4/c1-3-7-20-15(4-2)19(11-24,17(25)30-20)18(9-22,10-23)16(29-20)12-5-6-13(21)14(8-12)26(27)28/h5-6,8,15-16,25H,3-4,7H2,1-2H3