5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]isophthalate Formula: C15H8N4O5-2 MolecularWeight: 324.24782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C=NN3C=NN=C3

Isomeric SMILES

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C=N/N3C=NN=C3

InChI

InChI=1S/C15H10N4O5/c20-14(21)10-3-9(4-11(5-10)15(22)23)13-2-1-12(24-13)6-18-19-7-16-17-8-19/h1-8H,(H,20,21)(H,22,23)/p-2/b18-6+