1-(2-chloranyl-4,6-dimethyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O2/c1-6-4-7(2)10(9(13)5-6)16-8(3)14-11(15-16)12(17)18/h4-5H,1-3H3,(H,17,18)