(4E)-4-[3-(dibutylazaniumyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-3-nitro-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide

Systemtic Name: (4E)-4-[3-(dibutylazaniumyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-3-nitro-N-oxidanyl-cyclohexa-2,5-dien-1-imine oxide Openeye Name: (4E)-4-[3-(dibutylammonio)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-N-hydroxy-3-nitro-cyclohexa-2,5-dien-1-imine oxide CAS Name: (4E)-4-[3-(dibutylammonio)-6-oxo-1-cyclohexa-2,4-dienylidene]-N-hydroxy-3-nitro-1-cyclohexa-2,5-dienimine oxide IUPAC Name: (4E)-4-[3-(dibutylazaniumyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-N-hydroxy-3-nitrocyclohexa-2,5-dien-1-imine oxide Traditional Name: (4E)-4-[3-(dibutylammonio)-6-keto-cyclohexa-2,4-dien-1-ylidene]-N-hydroxy-3-nitro-cyclohexa-2,5-dien-1-imine oxide Formula: C20H26N3O5+ MolecularWeight: 388.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C1=CC(=C2C=CC(=[N+](O)[O-])C=C2[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

CCCC[NH+](CCCC)C1=C/C(=C\2/C=C/C(=[N+](/O)\[O-])/C=C2[N+](=O)[O-])/C(=O)C=C1

InChI

InChI=1S/C20H25N3O5/c1-3-5-11-21(12-6-4-2)15-8-10-20(24)18(13-15)17-9-7-16(22(25)26)14-19(17)23(27)28/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)/p+1/b18-17+