
 CHEMBL2392167

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.4107   -0.5108   -1.0319 C   0  0  0  0  0
    3.7291   -0.0888   -0.7029 O   0  0  0  0  0
    3.9578    1.2588   -0.6814 C   0  0  0  0  0
    3.0466    2.2506   -1.0400 C   0  0  0  0  0
    3.4143    3.5991   -0.9684 C   0  0  0  0  0
    4.6974    3.9721   -0.5438 C   0  0  0  0  0
    5.6065    2.9757   -0.1716 C   0  0  0  0  0
    5.2350    1.6286   -0.2502 C   0  0  0  0  0
    5.0175    5.4312   -0.4810 C   0  0  0  0  0
    4.0900    6.2232   -0.3640 O   0  0  0  0  0
    6.3546    5.7634   -0.5930 N   0  0  0  0  0
    6.9277    7.0589   -0.5671 C   0  0  0  0  0
    8.3235    7.1498   -0.7096 C   0  0  0  0  0
    8.9551    8.3935   -0.7097 C   0  0  0  0  0
    8.2155    9.5664   -0.5615 C   0  0  0  0  0
    6.8358    9.4777   -0.4065 C   0  0  0  0  0
    6.1909    8.2363   -0.4076 C   0  0  0  0  0
    5.9130   10.9175   -0.2087 Cl  0  0  0  0  0
   10.4172    8.4478   -0.8578 C   0  0  0  0  0
   11.0282    9.5054   -0.9049 O   0  0  0  0  0
   11.1224    7.1609   -0.9341 C   0  0  0  0  0
   10.4063    6.0296   -0.9117 C   0  0  0  0  0
    9.0256    5.9724   -0.8351 O   0  0  0  0  0
   11.1528    4.7508   -0.9681 C   0  0  0  0  0
   12.3605    4.6133   -1.0334 O   0  0  0  0  0
   10.3275    3.6880   -0.9280 O   0  0  0  0  0
    2.3832   -1.6029   -0.9678 H   0  0  0  0  0
    2.1518   -0.2310   -2.0584 H   0  0  0  0  0
    1.6797   -0.1167   -0.3179 H   0  0  0  0  0
    2.0427    2.0146   -1.3775 H   0  0  0  0  0
    2.6887    4.3625   -1.2462 H   0  0  0  0  0
    6.5944    3.2131    0.2104 H   0  0  0  0  0
    5.9437    0.8564    0.0419 H   0  0  0  0  0
    7.0173    5.0164   -0.7675 H   0  0  0  0  0
    8.7115   10.5345   -0.5603 H   0  0  0  0  0
    5.1125    8.2190   -0.2839 H   0  0  0  0  0
   12.2037    7.1922   -0.9991 H   0  0  0  0  0
   10.9347    2.9186   -0.9680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 23  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 36  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392167

>  <PubChem CID>
71733744

>  <Formula>
C18H12ClNO6

>  <Molecular Weight>
373.745000

>  <IUPAC Name>
6-chloro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H12ClNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)

>  <InChI Key>
YMINVJCQMHQVBJ-UHFFFAOYSA-N

