4-[C-(1,2,4-triazol-4-yl)carbonimidoyl]benzoic acid

Systemtic Name: 4-[C-(1,2,4-triazol-4-yl)carbonimidoyl]benzoic acid Openeye Name: 4-(1,2,4-triazole-4-carboximidoyl)benzoic acid CAS Name: 4-[imino(1,2,4-triazol-4-yl)methyl]benzoic acid IUPAC Name: 4-(1,2,4-triazole-4-carboximidoyl)benzoic acid Traditional Name: 4-(1,2,4-triazole-4-carboximidoyl)benzoic acid Formula: C10H8N4O2 MolecularWeight: 216.19612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N2C=NN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N2C=NN=C2)C(=O)O

InChI

InChI=1S/C10H8N4O2/c11-9(14-5-12-13-6-14)7-1-3-8(4-2-7)10(15)16/h1-6,11H,(H,15,16)