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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-isopropyl-1,2,4-triazole-3-carboxylic acid Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2/c1-7(2)13-16-12(14(19)20)17-18(13)11-9(4)5-8(3)6-10(11)15/h5-7H,1-4H3,(H,19,20)