5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H17N3O3 MolecularWeight: 275.30308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C14H17N3O3/c1-14(2,3)13-15-11(12(18)19)16-17(13)9-5-7-10(20-4)8-6-9/h5-8H,1-4H3,(H,18,19)