dimethyl 4-oxidanylidene-1H-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 4-oxidanylidene-1H-pyridin-1-ium-3,5-dicarboxylate Openeye Name: dimethyl 4-oxo-1H-pyridin-1-ium-3,5-dicarboxylate CAS Name: 4-oxo-1H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-oxo-1H-pyridin-1-ium-3,5-dicarboxylate Traditional Name: 4-keto-1H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester Formula: C9H10NO5+ MolecularWeight: 212.1794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[NH2+]C=C(C1=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C[NH2+]C=C(C1=O)C(=O)OC

InChI

InChI=1S/C9H9NO5/c1-14-8(12)5-3-10-4-6(7(5)11)9(13)15-2/h3-4H,1-2H3,(H,10,11)/p+1