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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20N2O4/c1-3-4-16-12-20(23(22-16)17-8-5-14(2)6-9-17)27-21(24)15-7-10-18-19(11-15)26-13-25-18/h5-12H,3-4,13H2,1-2H3