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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium chloride Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium chloride CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium chloride IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(4-nitrophenyl)methyl]pyridin-1-ium chloride Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrobenzyl)pyridin-1-ium chloride Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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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-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N3O6.ClH/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;1H/q+1;/p-1