methyl 2-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 2-(2-chloranyl-6-methyl-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: methyl 2-(2-chloro-6-methyl-phenyl)-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 2-(2-chloro-6-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-chloro-6-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 1-(2-chloro-6-methyl-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid methyl ester Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3/c1-7-4-3-5-8(13)11(7)15-10(16)6-9(14-15)12(17)18-2/h3-6,14H,1-2H3