
 CHEMBL2392147

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.9360    2.1915   -3.0367 C   0  0  0  0  0
    3.2201    2.3222   -2.4225 O   0  0  0  0  0
    3.3140    1.8041   -1.1680 C   0  0  0  0  0
    2.4425    1.1533   -0.6049 O   0  0  0  0  0
    4.6733    2.0501   -0.5832 C   0  0  0  0  0
    5.0087    3.5087   -0.4008 C   0  0  0  0  0
    4.1850    4.3981   -0.5819 O   0  0  0  0  0
    6.3205    3.6932    0.0156 N   0  0  0  0  0
    6.9889    4.9220    0.2416 C   0  0  0  0  0
    6.4141    6.1718   -0.0128 C   0  0  0  0  0
    7.1322    7.3513    0.2148 C   0  0  0  0  0
    8.4359    7.2965    0.6981 C   0  0  0  0  0
    9.0169    6.0547    0.9572 C   0  0  0  0  0
    8.3057    4.8750    0.7349 C   0  0  0  0  0
    8.8506    3.6362    0.9898 O   0  0  0  0  0
   10.1333    3.5636    1.5120 C   0  0  0  0  0
   10.9097    4.6282    1.7559 C   0  0  0  0  0
   10.3907    5.9717    1.4722 C   0  0  0  0  0
   11.0800    6.9636    1.6653 O   0  0  0  0  0
   10.6326    2.1958    1.8006 C   0  0  0  0  0
   10.0050    1.1718    1.5917 O   0  0  0  0  0
   11.8645    2.1583    2.3340 O   0  0  0  0  0
    1.1184    2.2936   -2.3157 H   0  0  0  0  0
    1.8752    1.2284   -3.5508 H   0  0  0  0  0
    1.8341    2.9906   -3.7765 H   0  0  0  0  0
    5.4169    1.5681   -1.2273 H   0  0  0  0  0
    4.7135    1.5670    0.3999 H   0  0  0  0  0
    6.8726    2.8639    0.2156 H   0  0  0  0  0
    5.4034    6.2699   -0.3980 H   0  0  0  0  0
    6.6667    8.3134    0.0101 H   0  0  0  0  0
    8.9916    8.2156    0.8725 H   0  0  0  0  0
   11.9138    4.5732    2.1583 H   0  0  0  0  0
   12.0405    1.2028    2.4707 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392147

>  <PubChem CID>
71734943

>  <Formula>
C14H11NO7

>  <Molecular Weight>
305.242000

>  <IUPAC Name>
8-[(3-methoxy-3-oxopropanoyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC(=O)CC(=O)NC1=CC=CC2=C1OC(=CC2=O)C(=O)O

>  <Isomeric SMILES>
COC(=O)CC(=O)NC1=CC=CC2=C1OC(=CC2=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C14H11NO7/c1-21-12(18)6-11(17)15-8-4-2-3-7-9(16)5-10(14(19)20)22-13(7)8/h2-5H,6H2,1H3,(H,15,17)(H,19,20)

>  <InChI Key>
LAYJYCGUQOCKGQ-UHFFFAOYSA-N

