11559247
  -OEChem-04262401242D

 31 34  0     0  0  0  0  0  0999 V2000
    2.0520    1.6577    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    4.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -4.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520   -1.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    2.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -2.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -0.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2829   -1.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275    3.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934    1.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556   -3.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093   -3.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1979    4.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 31  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 20  2  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11559247

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
644

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAEAAAAAAAAAAAAAAAAAAAAAAwQIEAAAAAAACBAAAAHgBQCAABjAyhmAIwxoLABgCIAqRSQACCCAAhIgAIiAAGbOgIJiLCsZOGcAhm0BHI+ZewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-bromo-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-bromo-9-hydroxy-6,12-dihydro[1]benzopyrano[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-bromo-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_NAME>
7-bromo-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-bromanyl-9-oxidanyl-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-bromo-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10BrNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,18-19H,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
XVNHJGZNGDSCON-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
342.98441

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10BrNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
344.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)Br

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.98441

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
10  11  8
10  16  8
11  15  8
15  18  8
16  19  8
18  19  8

$$$$