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

Systemtic Name: 5-tert-butyl-1-(3-fluoranyl-4-methoxy-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(3-fluoro-4-methoxy-phenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(3-fluoro-4-methoxyphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(3-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(3-fluoro-4-methoxy-phenyl)triazole-4-carboxylic acid Formula: C14H16FN3O3 MolecularWeight: 293.293543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=CC(=C(C=C2)OC)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=CC(=C(C=C2)OC)F)C(=O)O

InChI

InChI=1S/C14H16FN3O3/c1-14(2,3)12-11(13(19)20)16-17-18(12)8-5-6-10(21-4)9(15)7-8/h5-7H,1-4H3,(H,19,20)