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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C

InChI

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