2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid Openeye Name: 2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid CAS Name: 2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid IUPAC Name: 2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid Traditional Name: 2-[3-(4-chlorophenyl)-1,2,4-triazol-1-yl]benzoic acid Formula: C15H10ClN3O2 MolecularWeight: 299.7118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N2C=NC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N2C=NC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H10ClN3O2/c16-11-7-5-10(6-8-11)14-17-9-19(18-14)13-4-2-1-3-12(13)15(20)21/h1-9H,(H,20,21)