[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N2O5/c1-28-19-10-8-18(9-11-19)26-23(14-20(25-26)16-5-3-2-4-6-16)31-24(27)17-7-12-21-22(13-17)30-15-29-21/h2-14H,15H2,1H3