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

Systemtic Name: 6-azanylidene-1-methyl-3-(3-nitrophenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-1-methyl-3-(3-nitrophenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-(3-nitrophenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-(3-nitrophenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-1-methyl-3-(3-nitrophenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N5O4/c1-3-5-14-17(2)27-15(12-6-4-7-13(8-12)24(25)26)18(9-20,10-21)19(14,11-22)16(23)28-17/h4,6-8,14-15,23H,3,5H2,1-2H3