4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid

Systemtic Name: 4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid Openeye Name: 4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid CAS Name: 4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid IUPAC Name: 4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid Traditional Name: 4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzoic acid Formula: C10H8N4O2 MolecularWeight: 216.19612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=N/C2=NC=NN2)C(=O)O

InChI

InChI=1S/C10H8N4O2/c15-9(16)8-3-1-7(2-4-8)5-11-10-12-6-13-14-10/h1-6H,(H,15,16)(H,12,13,14)/b11-5+