[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H20N2O4/c1-16-7-6-10-21(17(16)2)27-24(14-20(26-27)18-8-4-3-5-9-18)31-25(28)19-11-12-22-23(13-19)30-15-29-22/h3-14H,15H2,1-2H3