(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O7/c18-15(10-1-3-16(19)4-2-10)23-8-12-6-13(17(20)21)5-11-7-22-9-24-14(11)12/h1-6H,7-9H2