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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O5/c1-27-16-7-8-20(28-2)17(9-16)19(25)13-29-21(26)15-10-23-24(12-15)11-14-5-3-4-6-18(14)22/h3-10,12H,11,13H2,1-2H3