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

Systemtic Name: 2-[(4S)-1-(3-chloranyl-4-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoate Openeye Name: 2-[(4S)-1-(3-chloro-4-methyl-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate CAS Name: 2-[(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate IUPAC Name: 2-[(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate Traditional Name: 2-[(4S)-1-(3-chloro-4-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetate Formula: C13H12ClN2O3- MolecularWeight: 279.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)CC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C(=N2)C)CC(=O)[O-])Cl

InChI

InChI=1S/C13H13ClN2O3/c1-7-3-4-9(5-11(7)14)16-13(19)10(6-12(17)18)8(2)15-16/h3-5,10H,6H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1