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

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C19H13F3N2O4 MolecularWeight: 390.31273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13F3N2O4/c1-11-3-2-4-13(7-11)24-17(9-16(23-24)19(20,21)22)28-18(25)12-5-6-14-15(8-12)27-10-26-14/h2-9H,10H2,1H3