4-(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-piperonyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(NNC3=O)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(NNC3=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3/c13-12(14,15)10-7(11(18)17-16-10)3-6-1-2-8-9(4-6)20-5-19-8/h1-2,4H,3,5H2,(H2,16,17,18)