
 N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzamide

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.1892    0.3143    2.8130 C   0  0  0  0  0
    2.2774    1.1697    1.9713 C   0  0  0  0  0
    2.5621    2.5442    1.8917 C   0  0  0  0  0
    1.7441    3.3918    1.1557 C   0  0  0  0  0
    0.6589    2.8797    0.4563 C   0  0  0  0  0
    0.3569    1.5045    0.4996 C   0  0  0  0  0
    1.1269    0.6525    1.3241 C   0  0  0  0  0
    0.8326   -0.7235    1.5113 N   0  0  0  0  0
   -0.4314   -1.2665    1.6334 C   0  0  0  0  0
   -1.4832   -0.6481    1.7295 O   0  0  0  0  0
   -0.5028   -2.7433    1.7761 C   0  0  0  0  0
   -1.4259   -3.2600    2.6981 C   0  0  0  0  0
   -1.5598   -4.6414    2.8742 C   0  0  0  0  0
   -0.7814   -5.5266    2.1264 C   0  0  0  0  0
    0.1261   -5.0347    1.1899 C   0  0  0  0  0
    0.2463   -3.6487    1.0228 C   0  0  0  0  0
    1.1654   -3.1793    0.0188 N   0  0  0  0  0
    2.3376   -3.0196    0.3842 O   0  0  0  0  0
    0.7151   -2.9861   -1.1152 O   0  0  0  0  0
   -0.7518    1.0388   -0.4082 C   0  0  0  0  0
    2.1269    5.2409    1.0800 Br  0  0  0  0  0
    3.5469   -0.5485    2.2423 H   0  0  0  0  0
    2.6642   -0.0267    3.7111 H   0  0  0  0  0
    4.0783    0.8679    3.1339 H   0  0  0  0  0
    3.4213    2.9544    2.4186 H   0  0  0  0  0
    0.0474    3.5450   -0.1501 H   0  0  0  0  0
    1.6038   -1.2947    1.8386 H   0  0  0  0  0
   -2.0514   -2.5842    3.2819 H   0  0  0  0  0
   -2.2816   -5.0257    3.5936 H   0  0  0  0  0
   -0.8949   -6.5997    2.2673 H   0  0  0  0  0
    0.7199   -5.7254    0.5954 H   0  0  0  0  0
   -0.7529    1.6226   -1.3368 H   0  0  0  0  0
   -1.7254    1.1706    0.0713 H   0  0  0  0  0
   -0.6175   -0.0017   -0.7169 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 27  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 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
M  CHG  2  17   1  19  -1
M  END

>  <Chemical Name>
N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzamide

>  <PubChem CID>
880764

>  <Formula>
C15H13BrN2O3

>  <Molecular Weight>
349.184000

>  <IUPAC Name>
N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzamide

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

>  <Isomeric SMILES>
CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

>  <InChI Std. ID>
InChI=1S/C15H13BrN2O3/c1-9-7-11(16)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)18(20)21/h3-8H,1-2H3,(H,17,19)

>  <InChI Key>
AAGRVCZPZVHAGG-UHFFFAOYSA-N

