
 CYM5953

 38 39  0  0  0  0  0  0  0  0999 V2000
    2.2131    2.9203    1.7309 C   0  0  0  0  0
    3.4219    2.1809    1.2411 C   0  0  0  0  0
    4.3569    2.8941    0.5794 N   0  0  0  0  0
    5.4748    2.2291    0.1479 C   0  0  0  0  0
    5.7100    0.8685    0.3831 C   0  0  0  0  0
    4.6977    0.1533    1.0237 C   0  0  0  0  0
    3.5461    0.8128    1.4578 C   0  0  0  0  0
    6.8994    0.3287   -0.0154 O   0  0  0  0  0
    7.2968   -0.9116    0.5800 C   0  0  0  0  0
    8.7989   -1.0967    0.3623 C   0  0  0  0  0
    9.0275   -1.3344   -1.0276 O   0  0  0  0  0
   10.2352   -1.8750   -1.3778 C   0  0  0  0  0
   10.3166   -2.4868   -2.6376 C   0  0  0  0  0
   11.5007   -3.0958   -3.0682 C   0  0  0  0  0
   12.6234   -3.0914   -2.2440 C   0  0  0  0  0
   12.5568   -2.4529   -1.0037 C   0  0  0  0  0
   11.3751   -1.8412   -0.5725 C   0  0  0  0  0
   13.8313   -3.6655   -2.5285 O   0  0  0  0  0
   13.9378   -4.3561   -3.7680 C   0  0  0  0  0
    8.9489   -2.5398   -3.6982 Cl  0  0  0  0  0
    6.5300    2.9493   -0.5759 N   0  0  0  0  0
    7.2254    3.7402    0.0849 O   0  0  0  0  0
    6.6376    2.7377   -1.7932 O   0  0  0  0  0
    2.3582    4.0016    1.6399 H   0  0  0  0  0
    2.0304    2.6947    2.7866 H   0  0  0  0  0
    1.3345    2.6371    1.1442 H   0  0  0  0  0
    4.7737   -0.9155    1.1988 H   0  0  0  0  0
    2.7622    0.2609    1.9695 H   0  0  0  0  0
    6.7439   -1.7295    0.1031 H   0  0  0  0  0
    7.1060   -0.8981    1.6593 H   0  0  0  0  0
    9.1306   -1.9545    0.9588 H   0  0  0  0  0
    9.3336   -0.1889    0.6641 H   0  0  0  0  0
   11.5140   -3.5659   -4.0449 H   0  0  0  0  0
   13.4372   -2.4314   -0.3642 H   0  0  0  0  0
   11.3817   -1.3420    0.3909 H   0  0  0  0  0
   14.9441   -4.7810   -3.8290 H   0  0  0  0  0
   13.8129   -3.6689   -4.6111 H   0  0  0  0  0
   13.2233   -5.1844   -3.8232 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 20  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
M  CHG  2  21   1  23  -1
M  END

>  <Chemical Name>
CYM5953

>  <PubChem CID>
44620884

>  <Formula>
C15H15ClN2O5

>  <Molecular Weight>
338.744000

>  <IUPAC Name>
3-[2-(2-chloro-4-methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)OC)Cl)[N+](=O)[O-]

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)OC)Cl)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C15H15ClN2O5/c1-10-3-5-14(15(17-10)18(19)20)23-8-7-22-13-6-4-11(21-2)9-12(13)16/h3-6,9H,7-8H2,1-2H3

>  <InChI Key>
BSPDGUPAOKIMIR-UHFFFAOYSA-N

