3-[4,5-dimethoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[4,5-dimethoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-(4,5-dimethoxy-1,3-dioxo-isoindolin-2-yl)-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-(4,5-dimethoxy-1,3-dioxo-2-isoindolyl)-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-(1,3-diketo-4,5-dimethoxy-isoindolin-2-yl)-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NNC(=N3)C(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NNC(=N3)C(=O)O)OC

InChI

InChI=1S/C13H10N4O6/c1-22-6-4-3-5-7(8(6)23-2)11(19)17(10(5)18)13-14-9(12(20)21)15-16-13/h3-4H,1-2H3,(H,20,21)(H,14,15,16)