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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-olate Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-olate CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-pyridin-1-iumolate IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-olate Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-olate Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5/c17-13-2-1-3-15(7-13)6-10-4-12(16(18)19)5-11-8-20-9-21-14(10)11/h1-5,7H,6,8-9H2