1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazole-4,5-dicarboxylate IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]triazole-4,5-dicarboxylate Formula: C14H10N4O7-2 MolecularWeight: 346.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=C(N=N3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=C(N=N3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N4O7/c19-10(6-18-12(14(22)23)11(13(20)21)16-17-18)15-7-1-2-8-9(5-7)25-4-3-24-8/h1-2,5H,3-4,6H2,(H,15,19)(H,20,21)(H,22,23)/p-2