
 Ethoxyidazoxan

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.8317    0.5437   -2.0082 C   0  0  0  0  0
    3.2561    1.0425   -1.8577 C   0  0  0  0  0
    3.9044    0.2442   -0.8733 O   0  0  0  0  0
    5.3038    0.5466   -0.7030 C   0  0  0  0  0
    5.7984   -0.3573    0.4378 C   0  0  0  0  0
    7.1624   -0.1150    0.8043 O   0  0  0  0  0
    7.4312    1.2236    0.8811 C   0  0  0  0  0
    8.6156    1.5870    1.5194 C   0  0  0  0  0
    8.9541    2.9349    1.6470 C   0  0  0  0  0
    8.1065    3.9184    1.1361 C   0  0  0  0  0
    6.9272    3.5534    0.4855 C   0  0  0  0  0
    6.5983    2.2053    0.3437 C   0  0  0  0  0
    5.4533    1.9302   -0.3529 O   0  0  0  0  0
    6.0951    0.1927   -2.0078 C   0  0  0  0  0
    6.0309   -0.9963   -2.5683 N   0  0  0  0  0
    6.8885   -0.8788   -3.7828 C   0  0  0  0  0
    7.1311    0.6173   -4.0004 C   0  0  0  0  0
    6.8496    1.1283   -2.6861 N   0  0  0  0  0
    1.2852    1.1414   -2.7433 H   0  0  0  0  0
    1.3020    0.5884   -1.0509 H   0  0  0  0  0
    1.8234   -0.5033   -2.3293 H   0  0  0  0  0
    3.2430    2.0901   -1.5394 H   0  0  0  0  0
    3.7658    0.9680   -2.8231 H   0  0  0  0  0
    5.7099   -1.4160    0.1668 H   0  0  0  0  0
    5.1766   -0.2198    1.3334 H   0  0  0  0  0
    9.2709    0.8198    1.9226 H   0  0  0  0  0
    9.8766    3.2170    2.1483 H   0  0  0  0  0
    8.3672    4.9686    1.2404 H   0  0  0  0  0
    6.2716    4.3193    0.0811 H   0  0  0  0  0
    7.8296   -1.4105   -3.6031 H   0  0  0  0  0
    6.3920   -1.3297   -4.6474 H   0  0  0  0  0
    6.4212    1.0275   -4.7261 H   0  0  0  0  0
    8.1522    0.8329   -4.3250 H   0  0  0  0  0
    6.6226    2.1081   -2.5581 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
Ethoxyidazoxan

>  <PubChem CID>
125992

>  <Formula>
C13H16N2O3

>  <Molecular Weight>
248.282000

>  <IUPAC Name>
2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1(COC2=CC=CC=C2O1)C3=NCCN3

>  <Isomeric SMILES>
CCOC1(COC2=CC=CC=C2O1)C3=NCCN3

>  <InChI Std. ID>
InChI=1S/C13H16N2O3/c1-2-17-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,14,15)

>  <InChI Key>
PXTLRBYNGGDZBN-UHFFFAOYSA-N

