2-[1-(3,5-dimethylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3,5-dimethylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[1-(3,5-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid CAS Name: 2-[1-(3,5-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid IUPAC Name: 2-[1-(3,5-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid Traditional Name: 2-[1-(3,5-dimethylphenyl)-5-keto-2-pyrazolin-3-yl]acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)CC(=N2)CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)CC(=N2)CC(=O)O)C

InChI

InChI=1S/C13H14N2O3/c1-8-3-9(2)5-11(4-8)15-12(16)6-10(14-15)7-13(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)