2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(5S)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C13H11F3N2O4 MolecularWeight: 316.23265

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)N3C(CC=N3)(C(F)(F)F)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N3[C@](CC=N3)(C(F)(F)F)O

InChI

InChI=1S/C13H11F3N2O4/c14-13(15,16)12(20)3-4-17-18(12)11(19)8-1-2-9-10(7-8)22-6-5-21-9/h1-2,4,7,20H,3,5-6H2/t12-/m0/s1