2-chloranyl-6-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 2-chloranyl-6-(1,2,4-triazol-1-yl)benzoate Openeye Name: 2-chloro-6-(1,2,4-triazol-1-yl)benzoate CAS Name: 2-chloro-6-(1,2,4-triazol-1-yl)benzoate IUPAC Name: 2-chloro-6-(1,2,4-triazol-1-yl)benzoate Traditional Name: 2-chloro-6-(1,2,4-triazol-1-yl)benzoate Formula: C9H5ClN3O2- MolecularWeight: 222.6079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)[O-])N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)[O-])N2C=NC=N2

InChI

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