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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NN=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=NN=C2)Cl)C(=O)[O-]

InChI

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