
 CHEMBL178863

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.2408   -0.9060    1.1597 C   0  0  0  0  0
    3.3401   -0.3641   -0.2541 C   0  0  0  0  0
    3.7436    1.0112   -0.2376 O   0  0  0  0  0
    5.0911    1.2420   -0.1677 C   0  0  0  0  0
    5.9338    0.3518   -0.0967 O   0  0  0  0  0
    5.4109    2.6845   -0.1842 C   0  0  0  0  0
    6.6684    3.1646   -0.0798 N   0  0  0  0  0
    6.4728    4.4922   -0.1410 N   0  0  0  0  0
    7.4744    5.4586   -0.0703 C   0  0  0  0  0
    8.8162    5.0725    0.0527 C   0  0  0  0  0
    9.7972    6.0510    0.1495 C   0  0  0  0  0
    9.4315    7.3934    0.1387 C   0  0  0  0  0
    8.0844    7.7664    0.0225 C   0  0  0  0  0
    7.0684    6.8064   -0.1076 C   0  0  0  0  0
    5.6624    7.1511   -0.2233 N   0  0  0  0  0
    4.6876    6.1500   -0.4074 C   0  0  0  0  0
    3.5148    6.3839   -0.6988 O   0  0  0  0  0
    5.1609    4.7948   -0.2820 C   0  0  0  0  0
    4.4552    3.6825   -0.3132 N   0  0  0  0  0
    5.2603    8.4819   -0.3252 C   0  0  0  0  0
    5.9015    9.3751   -0.8698 O   0  0  0  0  0
    4.0454    8.7091    0.2557 O   0  0  0  0  0
    3.5249   10.0448    0.1770 C   0  0  0  0  0
    2.9434   10.3290   -1.1963 C   0  0  0  0  0
    2.8704   -1.9351    1.1545 H   0  0  0  0  0
    2.5649   -0.2900    1.7617 H   0  0  0  0  0
    4.2152   -0.8896    1.6579 H   0  0  0  0  0
    2.3545   -0.4012   -0.7298 H   0  0  0  0  0
    4.0159   -0.9682   -0.8702 H   0  0  0  0  0
    9.1035    4.0222    0.0756 H   0  0  0  0  0
   10.8439    5.7695    0.2409 H   0  0  0  0  0
   10.1971    8.1628    0.2228 H   0  0  0  0  0
    7.8791    8.8336    0.0398 H   0  0  0  0  0
    4.2941   10.7754    0.4516 H   0  0  0  0  0
    2.7305   10.1159    0.9275 H   0  0  0  0  0
    3.7211   10.3217   -1.9660 H   0  0  0  0  0
    2.4555   11.3079   -1.2126 H   0  0  0  0  0
    2.2129    9.5628   -1.4742 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 19  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 18  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 34  1  0  0  0
 23 35  1  0  0  0
 24 36  1  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL178863

>  <PubChem CID>
11493648

>  <Formula>
C15H14N4O5

>  <Molecular Weight>
330.300000

>  <IUPAC Name>
diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=NN2C3=CC=CC=C3N(C(=O)C2=N1)C(=O)OCC

>  <Isomeric SMILES>
CCOC(=O)C1=NN2C3=CC=CC=C3N(C(=O)C2=N1)C(=O)OCC

>  <InChI Std. ID>
InChI=1S/C15H14N4O5/c1-3-23-14(21)11-16-12-13(20)18(15(22)24-4-2)9-7-5-6-8-10(9)19(12)17-11/h5-8H,3-4H2,1-2H3

>  <InChI Key>
CJMOFNWHVBBDDW-UHFFFAOYSA-N

