Ethyl 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-4,8-methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylate

CAS Registry Number®

321998-78-1
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CAS Name

Ethyl 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-4,8-methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylate

Molecular Formula

C21H20ClF3N4O5

Molecular Mass

500.86

Cite this Page

Ethyl 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-4,8-methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=321998-78-1 (retrieved 2024-09-16) (CAS RN: 321998-78-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20ClF3N4O5/c1-2-33-20(32)15-14-9-6-10(16(14)34-28-15)13-12(9)18(30)29(19(13)31)4-3-26-17-11(22)5-8(7-27-17)21(23,24)25/h5,7,9-10,12-14,16H,2-4,6H2,1H3,(H,26,27)

InChIKey

InChIKey=OXPDVIMGYINVSJ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2C3C4C(C(C3)C2ON1)C(=O)N(CCNC5=C(Cl)C=C(C(F)(F)F)C=N5)C4=O

Canonical SMILES

O=C(OCC)C1=NOC2C1C3CC2C4C(=O)N(C(=O)C43)CCNC5=NC=C(C=C5Cl)C(F)(F)F

Other Names for this Substance

  • 4,8-Methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylic acid, 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-, ethyl ester
  • Ethyl 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-4,8-methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylate