4-chloranyl-2-(1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-chloranyl-2-(1,2,4-triazol-4-yl)benzoate Openeye Name: 4-chloro-2-(1,2,4-triazol-4-yl)benzoate CAS Name: 4-chloro-2-(1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-chloro-2-(1,2,4-triazol-4-yl)benzoate Traditional Name: 4-chloro-2-(1,2,4-triazol-4-yl)benzoate Formula: C9H5ClN3O2- MolecularWeight: 222.6079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C=NN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C=NN=C2)C(=O)[O-]

InChI

InChI=1S/C9H6ClN3O2/c10-6-1-2-7(9(14)15)8(3-6)13-4-11-12-5-13/h1-5H,(H,14,15)/p-1