2-[4-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[4-(4-tert-butylphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C15H19N3O3/c1-10-16-17(9-13(19)20)14(21)18(10)12-7-5-11(6-8-12)15(2,3)4/h5-8H,9H2,1-4H3,(H,19,20)