3-[1-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C16H12ClN3O2/c1-10-5-6-13(8-14(10)17)20-9-18-15(19-20)11-3-2-4-12(7-11)16(21)22/h2-9H,1H3,(H,21,22)