5-tert-butyl-1-(2-fluoranyl-5-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(2-fluoranyl-5-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(2-fluoro-5-methyl-phenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(2-fluoro-5-methylphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(2-fluoro-5-methylphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-fluoro-5-methyl-phenyl)triazole-4-carboxylic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)N2C(=C(N=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)N2C(=C(N=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C14H16FN3O2/c1-8-5-6-9(15)10(7-8)18-12(14(2,3)4)11(13(19)20)16-17-18/h5-7H,1-4H3,(H,19,20)