56642900
  -OEChem-04242404092D

 22 23  0     0  0  0  0  0  0999 V2000
    3.5827    1.4514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.9514    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.3174    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    0.5854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -2.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -0.3586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
534

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMYAEAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAAAAAAAAHwIUAAAADArBgBQACALQAACIAiXWWACAAAAgAAAgCIEIAEgIBAwIAQBAEAACIAAIgUIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4E)-4-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]isoxazolidine-3,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(4E)-4-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]isoxazolidine-3,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>E</I>)-4-[3-chloro-5-(trifluoromethyl)-1<I>H</I>-pyridin-2-ylidene]-1,2-oxazolidine-3,5-dione

> <PUBCHEM_IUPAC_NAME>
(4E)-4-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-1,2-oxazolidine-3,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4E)-4-[3-chloranyl-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-1,2-oxazolidine-3,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4E)-4-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]isoxazolidine-3,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-14-6(4)5-7(16)15-18-8(5)17/h1-2,14H,(H,15,16)/b6-5+

> <PUBCHEM_IUPAC_INCHIKEY>
ZAAVWWKFQMVWFX-AATRIKPKSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
279.9862542

> <PUBCHEM_MOLECULAR_FORMULA>
C9H4ClF3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
280.59

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=C2C(=O)NOC2=O)NC=C1C(F)(F)F)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(/C(=C\2/C(=O)NOC2=O)/NC=C1C(F)(F)F)Cl

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.9862542

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$