
 CHEMBL118377

 30 31  0  0  0  0  0  0  0  0999 V2000
    5.6780   -0.4905   -0.3673 C   0  0  0  0  0
    4.9181   -1.7200   -0.2740 N   0  0  0  0  0
    3.6090   -1.6674    0.1951 C   0  0  0  0  0
    3.1069   -0.6671    0.7048 O   0  0  0  0  0
    2.8150   -2.9290    0.1088 C   0  0  0  0  0
    3.3818   -4.1184    0.3479 C   0  0  0  0  0
    2.5431   -5.2988    0.2391 C   0  0  0  0  0
    1.1663   -5.1620    0.0456 C   0  0  0  0  0
    0.3492   -6.2938   -0.0407 C   0  0  0  0  0
    0.9079   -7.5702    0.0399 C   0  0  0  0  0
    2.2851   -7.7045    0.2266 C   0  0  0  0  0
    3.1018   -6.5758    0.3300 C   0  0  0  0  0
    0.2313   -8.7554   -0.0468 O   0  0  0  0  0
   -1.1719   -8.6787   -0.2633 C   0  0  0  0  0
    0.5349   -3.9528   -0.0526 O   0  0  0  0  0
    1.3502   -2.7683   -0.1643 C   0  0  0  0  0
    5.0728   -2.4641   -1.4757 O   0  0  0  0  0
    6.7253   -0.7362   -0.5647 H   0  0  0  0  0
    5.6038    0.0614    0.5740 H   0  0  0  0  0
    5.2802    0.1249   -1.1794 H   0  0  0  0  0
    4.4264   -4.2353    0.6075 H   0  0  0  0  0
   -0.7163   -6.1434   -0.1755 H   0  0  0  0  0
    2.7274   -8.6948    0.2873 H   0  0  0  0  0
    4.1704   -6.7083    0.4765 H   0  0  0  0  0
   -1.5537   -9.7014   -0.3391 H   0  0  0  0  0
   -1.4006   -8.1682   -1.2046 H   0  0  0  0  0
   -1.6736   -8.1965    0.5819 H   0  0  0  0  0
    0.9161   -2.0418    0.5323 H   0  0  0  0  0
    1.2046   -2.3758   -1.1774 H   0  0  0  0  0
    5.6331   -3.2034   -1.1780 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 16  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL118377

>  <PubChem CID>
14971255

>  <Formula>
C12H13NO4

>  <Molecular Weight>
235.239000

>  <IUPAC Name>
N-hydroxy-7-methoxy-N-methyl-2H-chromene-3-carboxamide

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C(=O)C1=CC2=C(C=C(C=C2)OC)OC1)O

>  <Isomeric SMILES>
CN(C(=O)C1=CC2=C(C=C(C=C2)OC)OC1)O

>  <InChI Std. ID>
InChI=1S/C12H13NO4/c1-13(15)12(14)9-5-8-3-4-10(16-2)6-11(8)17-7-9/h3-6,15H,7H2,1-2H3

>  <InChI Key>
BAVLTNAWWJMAPW-UHFFFAOYSA-N

