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

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O4/c1-21(2,3)18-11-19(24(23-18)15-6-4-5-14(22)10-15)28-20(25)13-7-8-16-17(9-13)27-12-26-16/h4-11H,12H2,1-3H3