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

Systemtic Name: [1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone Formula: C21H17N2O5+ MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N2O5/c24-20(15-4-2-1-3-5-15)16-6-8-22(9-7-16)12-17-10-19(23(25)26)11-18-13-27-14-28-21(17)18/h1-11H,12-14H2/q+1