3-oxidanylidene-2-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 2-(4-isopropylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-oxo-2-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-oxo-2-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-keto-2-p-cumenyl-1H-1,2,4-triazole-5-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-7(2)8-3-5-9(6-4-8)15-12(18)13-10(14-15)11(16)17/h3-7H,1-2H3,(H,16,17)(H,13,14,18)