methyl 6-deuterio-4-nitro-1-oxidanidyl-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 6-deuterio-4-nitro-1-oxidanidyl-pyridin-1-ium-2-carboxylate Openeye Name: methyl 6-deuterio-4-nitro-1-oxido-pyridin-1-ium-2-carboxylate CAS Name: 6-deuterio-4-nitro-1-oxido-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-deuterio-4-nitro-1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 6-deuterio-4-nitro-1-oxido-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C7H6N2O5 MolecularWeight: 199.139102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O5/c1-14-7(10)6-4-5(9(12)13)2-3-8(6)11/h2-4H,1H3/i3D