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

Systemtic Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(2,5-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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