methyl 5-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-nitro-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 5-nitro-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 5-nitro-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C7H6N2O5 MolecularWeight: 198.13294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C[N+](=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C[N+](=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O5/c1-14-7(10)5-2-6(9(12)13)4-8(11)3-5/h2-4H,1H3