8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(E)-1,2,4-triazol-4-yliminomethyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C12H10N4O4 MolecularWeight: 274.2322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C=NN3C=NN=C3)C(=O)O

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)/C=N/N3C=NN=C3)C(=O)O

InChI

InChI=1S/C12H10N4O4/c17-12(18)8-1-9(3-15-16-5-13-14-6-16)11-10(2-8)4-19-7-20-11/h1-3,5-6H,4,7H2,(H,17,18)/b15-3+