4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid

Systemtic Name: 4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid Openeye Name: 4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid CAS Name: 4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid IUPAC Name: 4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid Traditional Name: 4-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid Formula: C10H8N4O2 MolecularWeight: 216.19612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C=NN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=N/N2C=NN=C2)C(=O)O

InChI

InChI=1S/C10H8N4O2/c15-10(16)9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H,(H,15,16)/b13-5+