[2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4/c1-13(2)17-11-20(23(22-17)16-7-4-14(3)5-8-16)27-21(24)15-6-9-18-19(10-15)26-12-25-18/h4-11,13H,12H2,1-3H3