3,4,6-trideuteriopyridine-2,5-dicarboxylic acid

Systemtic Name: 3,4,6-trideuteriopyridine-2,5-dicarboxylic acid Openeye Name: 3,4,6-trideuteriopyridine-2,5-dicarboxylic acid CAS Name: 3,4,6-trideuteriopyridine-2,5-dicarboxylic acid IUPAC Name: 3,4,6-trideuteriopyridine-2,5-dicarboxylic acid Traditional Name: 3,4,6-trideuterioisocinchomeronic acid Formula: C7H5NO4 MolecularWeight: 177.085969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)O)C(=O)O

Isomeric SMILES

[2H][13C]1=[13C]([13C](=N[13C](=[13C]1[13C](=O)O)[2H])[13C](=O)O)[2H]

InChI

InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)/i1+1D,2+1D,3+1D,4+1,5+1,6+1,7+1