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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(2,3-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-4-6-17-12-21(24(23-17)18-8-5-7-14(2)15(18)3)28-22(25)16-9-10-19-20(11-16)27-13-26-19/h5,7-12H,4,6,13H2,1-3H3