
 CPCCOEt

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.8517   -0.0501    0.0621 C   0  0  0  0  0
    3.9694    0.3611   -0.8779 C   0  0  0  0  0
    4.9247    1.1771   -0.1869 O   0  0  0  0  0
    4.6375    2.5062   -0.1394 C   0  0  0  0  0
    3.6560    3.0508   -0.6246 O   0  0  0  0  0
    5.6769    3.2650    0.6005 C   0  0  0  0  0
    7.1268    3.2090    0.1793 C   0  0  0  0  0
    6.3263    4.4638   -0.0503 C   0  0  0  0  0
    6.5203    5.6532    0.8059 C   0  0  0  0  0
    7.5008    6.4257    0.4489 N   0  0  0  0  0
    7.7283    7.4753    1.3395 O   0  0  0  0  0
    5.5800    5.7612    1.9412 C   0  0  0  0  0
    5.1448    6.9877    2.4506 C   0  0  0  0  0
    4.2523    7.0203    3.5252 C   0  0  0  0  0
    3.7891    5.8309    4.0888 C   0  0  0  0  0
    4.2048    4.6044    3.5704 C   0  0  0  0  0
    5.0807    4.5710    2.4853 C   0  0  0  0  0
    5.4516    3.3271    2.0318 O   0  0  0  0  0
    2.1507   -0.7225   -0.4402 H   0  0  0  0  0
    2.2998    0.8235    0.4230 H   0  0  0  0  0
    3.2577   -0.5568    0.9438 H   0  0  0  0  0
    3.5798    0.8710   -1.7664 H   0  0  0  0  0
    4.5024   -0.5295   -1.2268 H   0  0  0  0  0
    7.3901    2.6143   -0.6874 H   0  0  0  0  0
    7.8853    3.2191    0.9536 H   0  0  0  0  0
    6.0433    4.6886   -1.0740 H   0  0  0  0  0
    8.5130    7.9078    0.9543 H   0  0  0  0  0
    5.4814    7.9232    2.0135 H   0  0  0  0  0
    3.9183    7.9761    3.9222 H   0  0  0  0  0
    3.0987    5.8600    4.9284 H   0  0  0  0  0
    3.8389    3.6782    4.0052 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6  8  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 12  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 27  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
M  END

>  <Chemical Name>
CPCCOEt

>  <PubChem CID>
6278000

>  <Formula>
C13H13NO4

>  <Molecular Weight>
247.250000

>  <IUPAC Name>
ethyl (7E)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C12CC1C(=NO)C3=CC=CC=C3O2

>  <Isomeric SMILES>
CCOC(=O)C12CC1/C(=N\O)/C3=CC=CC=C3O2

>  <InChI Std. ID>
InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-

>  <InChI Key>
FXCTZFMSAHZQTR-KAMYIIQDSA-N

