
 2-[4-(2-methoxyphenoxy)-3-nitrophenyl]quinoxaline

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.6311    2.8726   -1.3452 C   0  0  0  0  0
    6.0588    1.5938   -1.6101 O   0  0  0  0  0
    4.7260    1.6221   -1.9347 C   0  0  0  0  0
    4.1585    2.6260   -2.7265 C   0  0  0  0  0
    2.7914    2.6098   -3.0076 C   0  0  0  0  0
    1.9830    1.6047   -2.4822 C   0  0  0  0  0
    2.5449    0.5924   -1.7025 C   0  0  0  0  0
    3.9268    0.5636   -1.4746 C   0  0  0  0  0
    4.5533   -0.4210   -0.7365 O   0  0  0  0  0
    4.1109   -1.7207   -0.7936 C   0  0  0  0  0
    4.2305   -2.5220    0.3404 C   0  0  0  0  0
    3.7377   -3.8413    0.3886 C   0  0  0  0  0
    3.1232   -4.4182   -0.7359 C   0  0  0  0  0
    3.0821   -3.6216   -1.9018 C   0  0  0  0  0
    3.5810   -2.3088   -1.9407 C   0  0  0  0  0
    2.5423   -5.7860   -0.7347 C   0  0  0  0  0
    1.9243   -6.1718   -1.8824 N   0  0  0  0  0
    1.3753   -7.4040   -1.9284 C   0  0  0  0  0
    0.7375   -7.8310   -3.0876 C   0  0  0  0  0
    0.1618   -9.0999   -3.1776 C   0  0  0  0  0
    0.2230   -9.9585   -2.0881 C   0  0  0  0  0
    0.8575   -9.5396   -0.9180 C   0  0  0  0  0
    1.4338   -8.2783   -0.8195 C   0  0  0  0  0
    2.0373   -7.9084    0.3227 N   0  0  0  0  0
    2.5806   -6.6652    0.3426 C   0  0  0  0  0
    4.8860   -2.0045    1.5257 N   0  0  0  0  0
    4.2281   -2.0173    2.5755 O   0  0  0  0  0
    6.0693   -1.6635    1.4236 O   0  0  0  0  0
    7.5369    2.7201   -0.7506 H   0  0  0  0  0
    5.9579    3.5148   -0.7647 H   0  0  0  0  0
    6.9213    3.3612   -2.2805 H   0  0  0  0  0
    4.7669    3.4213   -3.1453 H   0  0  0  0  0
    2.3566    3.3887   -3.6292 H   0  0  0  0  0
    0.9144    1.6059   -2.6831 H   0  0  0  0  0
    1.8916   -0.1690   -1.2864 H   0  0  0  0  0
    3.8439   -4.3928    1.3197 H   0  0  0  0  0
    2.6428   -4.0234   -2.8166 H   0  0  0  0  0
    3.5290   -1.7601   -2.8786 H   0  0  0  0  0
    0.6899   -7.1589   -3.9408 H   0  0  0  0  0
   -0.3297   -9.4119   -4.0958 H   0  0  0  0  0
   -0.2190  -10.9502   -2.1433 H   0  0  0  0  0
    0.9066  -10.2093   -0.0628 H   0  0  0  0  0
    3.0528   -6.4156    1.2851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  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 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 16 25  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 25 43  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
M  CHG  2  26   1  28  -1
M  END

>  <Chemical Name>
2-[4-(2-methoxyphenoxy)-3-nitrophenyl]quinoxaline

>  <PubChem CID>
1288612

>  <Formula>
C21H15N3O4

>  <Molecular Weight>
373.368000

>  <IUPAC Name>
2-[4-(2-methoxyphenoxy)-3-nitrophenyl]quinoxaline

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1OC2=C(C=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

>  <Isomeric SMILES>
COC1=CC=CC=C1OC2=C(C=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C21H15N3O4/c1-27-20-8-4-5-9-21(20)28-19-11-10-14(12-18(19)24(25)26)17-13-22-15-6-2-3-7-16(15)23-17/h2-13H,1H3

>  <InChI Key>
AMUIZQDUZFTYFV-UHFFFAOYSA-N

