
 CYM50174

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.5156    1.6584   -0.1960 C   0  0  0  0  0
    2.9722    1.3040   -0.2406 C   0  0  0  0  0
    3.7933    2.1180   -0.9365 N   0  0  0  0  0
    5.1258    1.7947   -0.9823 C   0  0  0  0  0
    5.6773    0.6651   -0.3622 C   0  0  0  0  0
    4.7962   -0.1378    0.3680 C   0  0  0  0  0
    3.4395    0.1851    0.4343 C   0  0  0  0  0
    7.0119    0.3956   -0.5284 O   0  0  0  0  0
    7.5457   -0.6926    0.2233 C   0  0  0  0  0
    9.0520   -0.8175    0.0052 C   0  0  0  0  0
    9.5145   -1.8361    0.8990 O   0  0  0  0  0
   10.6682   -1.5767    1.5895 C   0  0  0  0  0
   11.6791   -2.5506    1.5172 C   0  0  0  0  0
   12.8380   -2.4454    2.2885 C   0  0  0  0  0
   12.9945   -1.3606    3.1426 C   0  0  0  0  0
   12.0031   -0.3892    3.2395 C   0  0  0  0  0
   10.8322   -0.5057    2.4827 C   0  0  0  0  0
    9.5975    0.6633    2.7959 Cl  0  0  0  0  0
   14.4058   -1.2378    4.1181 Cl  0  0  0  0  0
   11.5196   -3.9332    0.4887 Cl  0  0  0  0  0
    6.0672    2.6541   -1.7155 N   0  0  0  0  0
    5.9417    2.7032   -2.9467 O   0  0  0  0  0
    6.9021    3.2873   -1.0502 O   0  0  0  0  0
    1.2824    2.4367   -0.9287 H   0  0  0  0  0
    1.2490    2.0263    0.7995 H   0  0  0  0  0
    0.9026    0.7816   -0.4299 H   0  0  0  0  0
    5.1230   -1.0305    0.8918 H   0  0  0  0  0
    2.7583   -0.4458    1.0006 H   0  0  0  0  0
    7.0750   -1.6345   -0.0869 H   0  0  0  0  0
    7.3495   -0.5469    1.2924 H   0  0  0  0  0
    9.5637    0.1456    0.1079 H   0  0  0  0  0
    9.2440   -1.1509   -1.0222 H   0  0  0  0  0
   13.6049   -3.2152    2.2349 H   0  0  0  0  0
   12.1256    0.4423    3.9311 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 17  1  0  0  0
 12 13  2  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 19  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  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>
CYM50174

>  <PubChem CID>
44620882

>  <Formula>
C14H11Cl3N2O4

>  <Molecular Weight>
377.602000

>  <IUPAC Name>
6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3

>  <InChI Key>
CLAHWMCGEBXKHS-UHFFFAOYSA-N

