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

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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