CDK     0521202330

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7434   -1.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422   -2.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4550   -2.9268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1743   -2.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1711   -1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0287   -1.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3146   -1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5999   -1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3153   -2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5112   -0.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8449   -1.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8835   -1.2664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3679    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    1.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970    1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506    0.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599    2.7247    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14  9  2  0  0  0  0 
  1  7  1  0  0  0  0 
  5 15  1  0  0  0  0 
  3  4  2  0  0  0  0 
  7  8  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
  8  9  1  0  0  0  0 
 18 19  2  0  0  0  0 
  4  5  1  0  0  0  0 
 19 20  1  0  0  0  0 
  8 10  2  0  0  0  0 
 20 21  2  0  0  0  0 
 21 16  1  0  0  0  0 
 12 16  1  0  0  0  0 
  9 11  1  0  0  0  0 
 19 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:149865

> <NAME>
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate

> <STAR>
2

> <FORMULA>
C16H9Cl2NO3

> <MASS>
334.150

> <MONOISOTOPIC_MASS>
332.99595

> <CHARGE>
0

> <SMILES>
C=1(C=C(Cl)C=NC1)OC(C2=CC=C(O2)C3=CC=C(C=C3)Cl)=O

> <INCHI>
InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H

> <INCHIKEY>
UICFGOSRHHZBHZ-UHFFFAOYSA-N

$$$$