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

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid CAS Name: 2-[1-(3-chloro-4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-5-keto-2-pyrazolin-3-yl]acetic acid Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3/c1-7-2-3-9(6-10(7)13)15-11(16)4-8(14-15)5-12(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)