
 CID 14116906

 52 52  0  0  0  0  0  0  0  0999 V2000
    6.4276   11.3567   -4.2946 C   0  0  0  0  0
    7.3956   10.2436   -3.8997 C   0  0  0  0  0
    7.6101    9.9928   -2.4707 N   0  0  0  0  0
    8.5813   10.8803   -1.8247 C   0  0  0  0  0
    8.1412   12.3070   -1.5164 C   0  0  0  0  0
    6.3696    9.7415   -1.7217 C   0  0  0  0  0
    6.5278    9.3024   -0.2532 C   0  0  0  0  0
    7.3581    8.1280   -0.0598 N   0  0  0  0  0
    7.8840    7.8436    1.1792 C   0  0  0  0  0
    7.7609    8.5954    2.1431 O   0  0  0  0  0
    8.6718    6.5871    1.3339 C   0  0  0  0  0
    9.6853    6.6198    2.3047 C   0  0  0  0  0
   10.4692    5.4955    2.5436 C   0  0  0  0  0
   10.2890    4.3251    1.7920 C   0  0  0  0  0
    9.2329    4.2797    0.8691 C   0  0  0  0  0
    8.4191    5.3972    0.6267 C   0  0  0  0  0
    7.3874    5.3995   -0.2735 O   0  0  0  0  0
    6.7594    4.1642   -0.6020 C   0  0  0  0  0
    5.3379    4.4943   -1.0580 C   0  0  0  0  0
    7.4141    3.2959   -1.6996 C   0  0  0  0  0
    8.0177    3.7267   -2.7686 N   0  0  0  0  0
    8.0388    5.1194   -2.8363 O   0  0  0  0  0
    7.2506    1.7990   -1.5671 C   0  0  0  0  0
   10.9851    3.1372    2.0906 N   0  0  0  0  0
   11.7023    5.5867    3.7525 Cl  0  0  0  0  0
    5.4249   11.1921   -3.8929 H   0  0  0  0  0
    6.7724   12.3413   -3.9751 H   0  0  0  0  0
    6.3352   11.3899   -5.3862 H   0  0  0  0  0
    8.3598   10.4212   -4.3925 H   0  0  0  0  0
    7.0221    9.3121   -4.3448 H   0  0  0  0  0
    9.4931   10.9225   -2.4349 H   0  0  0  0  0
    8.9117   10.4168   -0.8875 H   0  0  0  0  0
    8.0814   12.9149   -2.4217 H   0  0  0  0  0
    8.8799   12.7850   -0.8640 H   0  0  0  0  0
    7.1783   12.3441   -1.0006 H   0  0  0  0  0
    5.8174    8.9456   -2.2386 H   0  0  0  0  0
    5.7263   10.6289   -1.7291 H   0  0  0  0  0
    6.9254   10.1260    0.3509 H   0  0  0  0  0
    5.5406    9.0608    0.1572 H   0  0  0  0  0
    7.4091    7.4257   -0.7922 H   0  0  0  0  0
    9.8568    7.5293    2.8783 H   0  0  0  0  0
    9.0731    3.3476    0.3405 H   0  0  0  0  0
    6.6627    3.5554    0.3072 H   0  0  0  0  0
    4.7692    3.5875   -1.2878 H   0  0  0  0  0
    4.8066    5.0531   -0.2805 H   0  0  0  0  0
    5.3487    5.1261   -1.9529 H   0  0  0  0  0
    8.5497    5.2879   -3.6504 H   0  0  0  0  0
    6.2778    1.5085   -1.9746 H   0  0  0  0  0
    8.0378    1.2776   -2.1192 H   0  0  0  0  0
    7.3022    1.4989   -0.5159 H   0  0  0  0  0
   11.1135    2.5163    1.2980 H   0  0  0  0  0
   11.8583    3.3171    2.5860 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 24  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 23  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
M  END

>  <Chemical Name>
CID 14116906

>  <PubChem CID>
14116906

>  <Formula>
C17H27ClN4O3

>  <Molecular Weight>
370.878000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[(3E)-3-hydroxyiminobutan-2-yl]oxybenzamide

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)C(=NO)C)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)/C(=N/O)/C)N)Cl

>  <InChI Std. ID>
InChI=1S/C17H27ClN4O3/c1-5-22(6-2)8-7-20-17(23)13-9-14(18)15(19)10-16(13)25-12(4)11(3)21-24/h9-10,12,24H,5-8,19H2,1-4H3,(H,20,23)/b21-11+

>  <InChI Key>
JMVSHMRQZDRTCY-SRZZPIQSSA-N

