
 CID 70682300

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.5487    0.7576    1.2119 C   0  0  0  0  0
    1.5128    1.6109    0.5323 C   0  0  0  0  0
    1.1703    0.1975    0.9573 C   0  0  0  0  0
    0.3630    0.0379    2.1541 O   0  0  0  0  0
   -0.6401    0.9711    2.2656 C   0  0  0  0  0
   -1.8166    0.5481    2.8838 C   0  0  0  0  0
   -2.8894    1.4303    3.0065 C   0  0  0  0  0
   -2.7844    2.7302    2.5107 C   0  0  0  0  0
   -1.5950    3.1630    1.9190 C   0  0  0  0  0
   -0.5054    2.2937    1.8237 C   0  0  0  0  0
    0.7867    2.6930    1.2242 C   0  0  0  0  0
    1.3828    3.8459    1.2005 N   0  0  0  0  0
    0.7150    4.8306    1.9277 O   0  0  0  0  0
    0.9258   -0.8248   -0.1111 C   0  0  0  0  0
    1.1213   -0.5253   -1.2838 O   0  0  0  0  0
    0.5270   -2.0506    0.3538 N   0  0  0  0  0
    0.2023   -3.1750   -0.4056 C   0  0  0  0  0
    0.0127   -3.1463   -1.7825 C   0  0  0  0  0
   -0.2784   -4.3332   -2.4512 C   0  0  0  0  0
   -0.3697   -5.5134   -1.7293 C   0  0  0  0  0
   -0.1895   -5.4492   -0.3588 C   0  0  0  0  0
    0.0778   -4.3080    0.3174 N   0  0  0  0  0
    3.3711    0.3907    0.6084 H   0  0  0  0  0
    2.8269    1.0111    2.2281 H   0  0  0  0  0
    1.6717    1.7978   -0.5263 H   0  0  0  0  0
   -1.9030   -0.4680    3.2594 H   0  0  0  0  0
   -3.8116    1.1018    3.4795 H   0  0  0  0  0
   -3.6290    3.4110    2.5868 H   0  0  0  0  0
   -1.5370    4.1734    1.5250 H   0  0  0  0  0
    1.2995    5.6029    1.8127 H   0  0  0  0  0
    0.5203   -2.2139    1.3515 H   0  0  0  0  0
    0.0708   -2.2287   -2.3556 H   0  0  0  0  0
   -0.4263   -4.3282   -3.5275 H   0  0  0  0  0
   -0.5777   -6.4563   -2.2217 H   0  0  0  0  0
   -0.2520   -6.3448    0.2527 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
M  END

>  <Chemical Name>
CID 70682300

>  <PubChem CID>
70682300

>  <Formula>
C16H13N3O3

>  <Molecular Weight>
295.298000

>  <IUPAC Name>
(1aS,7E,7aS)-7-hydroxyimino-N-pyridin-2-yl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C2C1(OC3=CC=CC=C3C2=NO)C(=O)NC4=CC=CC=N4

>  <Isomeric SMILES>
C1[C@@H]\2[C@]1(OC3=CC=CC=C3/C2=N/O)C(=O)NC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)/b19-14-/t11-,16-/m0/s1

>  <InChI Key>
NAPZSTOOVHXHKA-UPDNOGQMSA-N

