methyl 2,6-dideuterio-1-oxidanidyl-pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 2,6-dideuterio-1-oxidanidyl-pyridin-1-ium-4-carboxylate Openeye Name: methyl 2,6-dideuterio-1-oxido-pyridin-1-ium-4-carboxylate CAS Name: 2,6-dideuterio-1-oxido-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2,6-dideuterio-1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 2,6-dideuterio-1-oxido-pyridin-1-ium-4-carboxylic acid methyl ester Formula: C7H7NO3 MolecularWeight: 155.147704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=CC(=CC(=[N+]1[O-])[2H])C(=O)OC

InChI

InChI=1S/C7H7NO3/c1-11-7(9)6-2-4-8(10)5-3-6/h2-5H,1H3/i4D,5D