[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O3/c1-14-9-10-18(15(2)11-14)19(26)13-28-22(27)20-16(3)24-25(21(20)23)12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3