
 CID 14116904

 49 49  0  0  0  0  0  0  0  0999 V2000
    1.0780    0.9035   -0.2947 C   0  0  0  0  0
    2.5273    1.3811   -0.2517 C   0  0  0  0  0
    2.9719    1.8502    1.0728 N   0  0  0  0  0
    2.7761    0.8689    2.1540 C   0  0  0  0  0
    3.5060   -0.4636    2.0060 C   0  0  0  0  0
    4.3742    2.3188    1.0287 C   0  0  0  0  0
    4.5792    3.6287    0.2428 C   0  0  0  0  0
    5.9481    4.1037    0.3426 N   0  0  0  0  0
    6.9533    3.5992   -0.4497 C   0  0  0  0  0
    6.7509    2.8091   -1.3666 O   0  0  0  0  0
    8.3422    4.0713   -0.1715 C   0  0  0  0  0
    9.2205    4.0895   -1.2653 C   0  0  0  0  0
   10.5417    4.4980   -1.0977 C   0  0  0  0  0
   11.0333    4.8384    0.1724 C   0  0  0  0  0
   10.1362    4.8692    1.2501 C   0  0  0  0  0
    8.7949    4.4841    1.0960 C   0  0  0  0  0
    7.9007    4.4441    2.1353 O   0  0  0  0  0
    8.1948    5.2319    3.2893 C   0  0  0  0  0
    6.9962    5.0974    4.2164 C   0  0  0  0  0
    6.1719    6.0533    4.5367 N   0  0  0  0  0
    6.5146    7.2648    3.9339 O   0  0  0  0  0
    6.7382    3.7276    4.7981 C   0  0  0  0  0
   12.3320    5.3503    0.3537 N   0  0  0  0  0
   11.5782    4.5332   -2.4816 Cl  0  0  0  0  0
    0.7762    0.7272   -1.3327 H   0  0  0  0  0
    0.4009    1.6528    0.1280 H   0  0  0  0  0
    0.9424   -0.0373    0.2470 H   0  0  0  0  0
    2.5935    2.2102   -0.9647 H   0  0  0  0  0
    3.1802    0.5861   -0.6316 H   0  0  0  0  0
    1.7045    0.6752    2.2814 H   0  0  0  0  0
    3.0797    1.3269    3.1046 H   0  0  0  0  0
    3.1990   -0.9995    1.1031 H   0  0  0  0  0
    3.2759   -1.1065    2.8623 H   0  0  0  0  0
    4.5914   -0.3298    1.9791 H   0  0  0  0  0
    5.0355    1.5397    0.6283 H   0  0  0  0  0
    4.7168    2.5130    2.0545 H   0  0  0  0  0
    3.9366    4.4198    0.6430 H   0  0  0  0  0
    4.3439    3.4958   -0.8174 H   0  0  0  0  0
    6.2018    4.6707    1.1440 H   0  0  0  0  0
    8.8652    3.7943   -2.2512 H   0  0  0  0  0
   10.5195    5.1899    2.2135 H   0  0  0  0  0
    8.3776    6.2715    3.0060 H   0  0  0  0  0
    9.0625    4.8291    3.8226 H   0  0  0  0  0
    5.8220    7.8677    4.2676 H   0  0  0  0  0
    7.6434    3.3679    5.2948 H   0  0  0  0  0
    6.4695    3.0358    3.9953 H   0  0  0  0  0
    5.9228    3.7627    5.5259 H   0  0  0  0  0
   12.7307    5.1791    1.2712 H   0  0  0  0  0
   12.9644    5.0820   -0.3999 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  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 40  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 22  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CID 14116904

>  <PubChem CID>
14116904

>  <Formula>
C16H25ClN4O3

>  <Molecular Weight>
356.851000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[(2E)-2-hydroxyiminopropoxy]benzamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=NO)C)N)Cl

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

>  <InChI Std. ID>
InChI=1S/C16H25ClN4O3/c1-4-21(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)24-10-11(3)20-23/h8-9,23H,4-7,10,18H2,1-3H3,(H,19,22)/b20-11+

>  <InChI Key>
KSYXXJYPWDJWFA-RGVLZGJSSA-N

