1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrobenzyl)pyridin-1-ium Formula: C21H18N3O6+ MolecularWeight: 408.38412

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N3O6/c25-23(26)19-3-1-15(2-4-19)9-16-5-7-22(8-6-16)12-17-10-20(24(27)28)11-18-13-29-14-30-21(17)18/h1-8,10-11H,9,12-14H2/q+1