
 SR-02000000318

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.5183   -4.1442   -3.5832 C   0  0  0  0  0
    3.5900   -3.2488   -3.0349 C   0  0  0  0  0
    4.4976   -2.7582   -3.9030 N   0  0  0  0  0
    5.5256   -2.0026   -3.3965 C   0  0  0  0  0
    5.6901   -1.7342   -2.0315 C   0  0  0  0  0
    4.7024   -2.2184   -1.1704 C   0  0  0  0  0
    3.6541   -2.9950   -1.6706 C   0  0  0  0  0
    6.7682   -1.0047   -1.6063 O   0  0  0  0  0
    7.1834   -1.2239   -0.2539 C   0  0  0  0  0
    8.6546   -0.9168   -0.1304 C   0  0  0  0  0
    9.0932    0.3641    0.2351 C   0  0  0  0  0
   10.4630    0.6603    0.3239 C   0  0  0  0  0
   11.3920   -0.3653    0.0908 C   0  0  0  0  0
   10.9653   -1.6417   -0.2710 C   0  0  0  0  0
    9.6044   -1.9117   -0.3981 C   0  0  0  0  0
   10.9814    2.0463    0.6487 C   0  0  0  0  0
    9.9882    3.0766    0.6761 O   0  0  0  0  0
    9.6204    3.6773   -0.4970 C   0  0  0  0  0
    8.9597    4.9124   -0.4482 C   0  0  0  0  0
    8.5075    5.5819   -1.5563 N   0  0  0  0  0
    8.6959    4.9989   -2.7592 C   0  0  0  0  0
    9.3298    3.7708   -2.8969 C   0  0  0  0  0
    9.8022    3.1134   -1.7602 C   0  0  0  0  0
    8.1594    5.7091   -3.9655 C   0  0  0  0  0
    8.7867    5.5008    0.8861 N   0  0  0  0  0
    9.4769    6.4967    1.1556 O   0  0  0  0  0
    7.9535    4.9759    1.6420 O   0  0  0  0  0
    6.5287   -1.4267   -4.2998 N   0  0  0  0  0
    6.1557   -0.5098   -5.0486 O   0  0  0  0  0
    7.6700   -1.9145   -4.2744 O   0  0  0  0  0
    2.4319   -4.0261   -4.6677 H   0  0  0  0  0
    1.5476   -3.9061   -3.1379 H   0  0  0  0  0
    2.7641   -5.1888   -3.3667 H   0  0  0  0  0
    4.7186   -2.0079   -0.1054 H   0  0  0  0  0
    2.9025   -3.3916   -0.9944 H   0  0  0  0  0
    7.0287   -2.2651    0.0587 H   0  0  0  0  0
    6.6045   -0.5730    0.4120 H   0  0  0  0  0
    8.3557    1.1405    0.4323 H   0  0  0  0  0
   12.4595   -0.1709    0.1753 H   0  0  0  0  0
   11.6942   -2.4248   -0.4647 H   0  0  0  0  0
    9.2881   -2.9065   -0.7047 H   0  0  0  0  0
   11.7992    2.3274   -0.0276 H   0  0  0  0  0
   11.4073    2.0089    1.6587 H   0  0  0  0  0
    9.4492    3.3141   -3.8761 H   0  0  0  0  0
   10.2762    2.1471   -1.9019 H   0  0  0  0  0
    7.8317    6.7209   -3.7067 H   0  0  0  0  0
    7.3029    5.1621   -4.3716 H   0  0  0  0  0
    8.9327    5.7901   -4.7357 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  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 28  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
M  CHG  4  25   1  27  -1  28   1  30  -1
M  END

>  <Chemical Name>
SR-02000000318

>  <PubChem CID>
16270867

>  <Formula>
C20H18N4O6

>  <Molecular Weight>
410.386000

>  <IUPAC Name>
6-methyl-3-[[3-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]phenyl]methoxy]-2-nitropyridine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OCC2=CC(=CC=C2)COC3=C(N=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OCC2=CC(=CC=C2)COC3=C(N=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C20H18N4O6/c1-13-6-8-17(19(21-13)23(25)26)29-11-15-4-3-5-16(10-15)12-30-18-9-7-14(2)22-20(18)24(27)28/h3-10H,11-12H2,1-2H3

>  <InChI Key>
BCCDCMIBOWXCQW-UHFFFAOYSA-N

