
 CHEMBL2392149

 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.1132    1.5858   -0.2518 C   0  0  0  0  0
    0.6916    2.4287    0.5129 C   0  0  0  0  0
    2.0753    2.2470    0.5275 C   0  0  0  0  0
    2.6588    1.2126   -0.2160 C   0  0  0  0  0
    1.8477    0.3767   -0.9951 C   0  0  0  0  0
    0.4629    0.5642   -1.0074 C   0  0  0  0  0
    4.1425    1.0683   -0.1851 C   0  0  0  0  0
    4.8209    2.0771   -0.0308 O   0  0  0  0  0
    4.6126   -0.2273   -0.2950 N   0  0  0  0  0
    5.9628   -0.6500   -0.3463 C   0  0  0  0  0
    7.0460    0.2319   -0.4205 C   0  0  0  0  0
    8.3589   -0.2497   -0.4721 C   0  0  0  0  0
    8.6049   -1.6199   -0.4529 C   0  0  0  0  0
    7.5295   -2.5070   -0.3866 C   0  0  0  0  0
    6.2180   -2.0324   -0.3360 C   0  0  0  0  0
    5.1360   -2.8813   -0.2705 O   0  0  0  0  0
    5.3641   -4.2462   -0.2579 C   0  0  0  0  0
    6.5745   -4.8185   -0.3036 C   0  0  0  0  0
    7.7631   -3.9593   -0.3691 C   0  0  0  0  0
    8.8862   -4.4425   -0.4053 O   0  0  0  0  0
    4.1936   -5.1521   -0.1822 C   0  0  0  0  0
    4.2094   -6.3688   -0.2072 O   0  0  0  0  0
    3.0386   -4.4702   -0.0694 O   0  0  0  0  0
   -1.1902    1.7340   -0.2685 H   0  0  0  0  0
    0.2445    3.2333    1.0922 H   0  0  0  0  0
    2.6999    2.9151    1.1180 H   0  0  0  0  0
    2.2757   -0.3999   -1.6223 H   0  0  0  0  0
   -0.1682   -0.0777   -1.6180 H   0  0  0  0  0
    3.9331   -0.9798   -0.2573 H   0  0  0  0  0
    6.9032    1.3082   -0.4465 H   0  0  0  0  0
    9.1881    0.4523   -0.5277 H   0  0  0  0  0
    9.6274   -1.9909   -0.4911 H   0  0  0  0  0
    6.7386   -5.8887   -0.2908 H   0  0  0  0  0
    2.3573   -5.1736   -0.0100 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392149

>  <PubChem CID>
71735031

>  <Formula>
C17H11NO5

>  <Molecular Weight>
309.277000

>  <IUPAC Name>
8-benzamido-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H11NO5/c19-13-9-14(17(21)22)23-15-11(13)7-4-8-12(15)18-16(20)10-5-2-1-3-6-10/h1-9H,(H,18,20)(H,21,22)

>  <InChI Key>
QEXKQEDQVPOXOC-UHFFFAOYSA-N

