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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CC(=N2)CC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-9-2-4-10(5-3-9)8-15-12(16)6-11(14-15)7-13(17)18/h2-5H,6-8H2,1H3,(H,17,18)