1-(4-tert-butylphenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-14(2,3)9-4-6-10(7-5-9)16-12(17)8-11(15-16)13(18)19/h4-7H,8H2,1-3H3,(H,18,19)