
 CHEMBL507522

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.6251   -0.3796    1.2002 C   0  0  0  0  0
    1.6970    0.6999    0.7114 C   0  0  0  0  0
    1.8696   -0.5657   -0.0947 C   0  0  0  0  0
    0.8084   -1.5512   -0.0369 O   0  0  0  0  0
   -0.4534   -1.0065    0.0089 C   0  0  0  0  0
   -1.4682   -1.7458   -0.6005 C   0  0  0  0  0
   -2.7766   -1.2636   -0.5966 C   0  0  0  0  0
   -3.0682   -0.0447    0.0151 C   0  0  0  0  0
   -2.0558    0.6873    0.6415 C   0  0  0  0  0
   -0.7469    0.1968    0.6648 C   0  0  0  0  0
    0.3680    0.9177    1.3194 C   0  0  0  0  0
    0.3715    1.7117    2.3470 N   0  0  0  0  0
   -0.8742    1.8345    2.9613 O   0  0  0  0  0
    2.5849   -0.5088   -1.4081 C   0  0  0  0  0
    2.6308    0.5474   -2.0203 O   0  0  0  0  0
    3.1476   -1.7157   -1.7702 N   0  0  0  0  0
    3.8926   -1.9964   -2.9328 C   0  0  0  0  0
    4.1424   -1.0645   -3.9428 C   0  0  0  0  0
    4.8954   -1.4194   -5.0668 C   0  0  0  0  0
    5.4073   -2.7082   -5.1896 C   0  0  0  0  0
    5.1628   -3.6458   -4.1899 C   0  0  0  0  0
    4.4067   -3.2922   -3.0685 C   0  0  0  0  0
    3.6895   -0.1815    1.1537 H   0  0  0  0  0
    2.3194   -0.9583    2.0642 H   0  0  0  0  0
    2.1635    1.6039    0.3299 H   0  0  0  0  0
   -1.2400   -2.6906   -1.0863 H   0  0  0  0  0
   -3.5679   -1.8334   -1.0777 H   0  0  0  0  0
   -4.0857    0.3392    0.0053 H   0  0  0  0  0
   -2.3014    1.6434    1.0939 H   0  0  0  0  0
   -0.6855    2.4574    3.6878 H   0  0  0  0  0
    2.9992   -2.4829   -1.1268 H   0  0  0  0  0
    3.7617   -0.0493   -3.8927 H   0  0  0  0  0
    5.0794   -0.6827   -5.8449 H   0  0  0  0  0
    5.9947   -2.9792   -6.0630 H   0  0  0  0  0
    5.5616   -4.6526   -4.2819 H   0  0  0  0  0
    4.2328   -4.0435   -2.3029 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL507522

>  <PubChem CID>
44572113

>  <Formula>
C17H14N2O3

>  <Molecular Weight>
294.310000

>  <IUPAC Name>
(1aS,7E,7aS)-7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2C1(OC3=CC=CC=C3C2=NO)C(=O)NC4=CC=CC=C4

>  <Isomeric SMILES>
C1[C@@H]\2[C@]1(OC3=CC=CC=C3/C2=N/O)C(=O)NC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-/t13-,17-/m0/s1

>  <InChI Key>
FPXPIEZPAXSELW-RGNAGUPPSA-N

