1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid piperonyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4/c1-17-7-10-19(11-8-17)24-21(14-27(26-24)20-5-3-2-4-6-20)25(28)29-15-18-9-12-22-23(13-18)31-16-30-22/h2-14H,15-16H2,1H3