265935
  -OEChem-05052400392D

 21 22  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
265935

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByMAAAEAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACBgAAAHgBAAAABjAzBngY+gJIIFACoA7R3RAKCiCA3IiAI2CH4ZPgoIPrAlbWEIYhkwAHIyde5zQAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-bromo-6-methoxy-quinoline-5,8-dione

> <PUBCHEM_IUPAC_CAS_NAME>
7-bromo-6-methoxyquinoline-5,8-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-bromo-6-methoxyquinoline-5,8-dione

> <PUBCHEM_IUPAC_NAME>
7-bromo-6-methoxyquinoline-5,8-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-bromanyl-6-methoxy-quinoline-5,8-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-bromo-6-methoxy-quinoline-5,8-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6BrNO3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
VFJSDBUJXJBRRA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
266.95311

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6BrNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
268.06

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Br

> <PUBCHEM_CACTVS_TPSA>
56.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.95311

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
12  13  8
13  14  8
5  14  8
5  7  8
6  12  8
6  7  8

$$$$