6278000
  -OEChem-04192420192D

 31 33  0     1  0  0  0  0  0999 V2000
    6.0010    0.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.2154    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2687   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1190    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9110    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0170    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191    2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    0.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -0.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4808   -1.3677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785    3.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4444    1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4572    3.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -3.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -3.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6278000

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
395

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAAAAAAAAAGAAAAAAAAAA0QAAABIAAAACRAAAAHgAECAAADUyhmAIyDoAQBACoAyDyCAICCAAgIAAIiAF2CJgNJrKEMR6COCCkwBEKqAeIyPCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(7E)-7-hydroxyimino-1,7a-dihydrocyclopropa[b][1]benzopyran-1a-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl (7<I>E</I>)-7-hydroxyimino-1,7<I>a</I>-dihydrocyclopropa[b]chromene-1<I>a</I>-carboxylate

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7E)-7-hydroximino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
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-

> <PUBCHEM_IUPAC_INCHIKEY>
FXCTZFMSAHZQTR-KAMYIIQDSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
247.08445790

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
247.25

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

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

> <PUBCHEM_CACTVS_TPSA>
68.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.08445790

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
6  10  3
7  8  3

$$$$