(2,5-dimethoxyphenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2,5-dimethoxyphenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2,5-dimethoxybenzyl) ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)OC)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)OC)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-14-19(20(22)24(23-14)12-15-7-5-4-6-8-15)21(25)28-13-16-11-17(26-2)9-10-18(16)27-3/h4-11H,12-13H2,1-3H3