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

Systemtic Name: 2-[(4S)-3-methyl-1-(2-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]ethanoate Openeye Name: 2-[(4S)-3-methyl-1-(o-tolyl)-5-oxo-4H-pyrazol-4-yl]acetate CAS Name: 2-[(4S)-3-methyl-1-(2-methylphenyl)-5-oxo-4H-pyrazol-4-yl]acetate IUPAC Name: 2-[(4S)-3-methyl-1-(2-methylphenyl)-5-oxo-4H-pyrazol-4-yl]acetate Traditional Name: 2-[(4S)-5-keto-3-methyl-1-(o-tolyl)-2-pyrazolin-4-yl]acetate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=N2)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@H](C(=N2)C)CC(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-8-5-3-4-6-11(8)15-13(18)10(7-12(16)17)9(2)14-15/h3-6,10H,7H2,1-2H3,(H,16,17)/p-1/t10-/m0/s1