1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-(1,3-benzodioxol-5-yl)triazole-4-carboxylate Formula: C12H7N6O5- MolecularWeight: 315.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)[O-]

InChI

InChI=1S/C12H8N6O5/c13-10-11(16-23-15-10)18-9(8(12(19)20)14-17-18)5-1-2-6-7(3-5)22-4-21-6/h1-3H,4H2,(H2,13,15)(H,19,20)/p-1