
 2-(2-nitrophenoxy)-N-propylacetamide

 31 31  0  0  0  0  0  0  0  0999 V2000
    0.8694    6.0930   -0.0605 C   0  0  0  0  0
    2.2536    5.6698    0.4060 C   0  0  0  0  0
    2.7949    4.5246   -0.4408 C   0  0  0  0  0
    4.1027    4.0904    0.0078 N   0  0  0  0  0
    4.5802    2.8403   -0.3343 C   0  0  0  0  0
    3.8913    1.9808   -0.8839 O   0  0  0  0  0
    6.0159    2.5604    0.0937 C   0  0  0  0  0
    6.8124    3.7403    0.0573 O   0  0  0  0  0
    8.1283    3.6274    0.4192 C   0  0  0  0  0
    8.7593    2.4194    0.7409 C   0  0  0  0  0
   10.1225    2.3875    1.0650 C   0  0  0  0  0
   10.8791    3.5582    1.0714 C   0  0  0  0  0
   10.2741    4.7722    0.7579 C   0  0  0  0  0
    8.9064    4.7945    0.4414 C   0  0  0  0  0
    8.3046    6.0808    0.1259 N   0  0  0  0  0
    8.9065    6.7962   -0.6884 O   0  0  0  0  0
    7.2647    6.3977    0.7228 O   0  0  0  0  0
    0.4891    6.9070    0.5639 H   0  0  0  0  0
    0.1622    5.2593    0.0017 H   0  0  0  0  0
    0.8950    6.4429   -1.0977 H   0  0  0  0  0
    2.2042    5.3636    1.4576 H   0  0  0  0  0
    2.9346    6.5274    0.3567 H   0  0  0  0  0
    2.8955    4.8318   -1.4886 H   0  0  0  0  0
    2.1053    3.6727   -0.4108 H   0  0  0  0  0
    4.8018    4.7964    0.2304 H   0  0  0  0  0
    6.4169    1.8199   -0.6078 H   0  0  0  0  0
    5.9760    2.1534    1.1111 H   0  0  0  0  0
    8.2276    1.4724    0.7423 H   0  0  0  0  0
   10.5967    1.4379    1.3072 H   0  0  0  0  0
   11.9380    3.5220    1.3194 H   0  0  0  0  0
   10.8634    5.6864    0.7613 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
M  CHG  2  15   1  17  -1
M  END

>  <Chemical Name>
2-(2-nitrophenoxy)-N-propylacetamide

>  <PubChem CID>
2500409

>  <Formula>
C11H14N2O4

>  <Molecular Weight>
238.243000

>  <IUPAC Name>
2-(2-nitrophenoxy)-N-propylacetamide

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

>  <Isomeric SMILES>
CCCNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C11H14N2O4/c1-2-7-12-11(14)8-17-10-6-4-3-5-9(10)13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14)

>  <InChI Key>
AAGGCGZIYMJGNC-UHFFFAOYSA-N

