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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O5/c1-14-20(21(23)25(24-14)12-15-7-5-4-6-8-15)22(27)30-13-18(26)17-11-16(28-2)9-10-19(17)29-3/h4-11H,12-13H2,1-3H3