1,3-benzodioxol-5-yl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H17ClN2O4/c1-12-3-5-14(6-4-12)10-23-19(21)18(13(2)22-23)20(24)27-15-7-8-16-17(9-15)26-11-25-16/h3-9H,10-11H2,1-2H3