53364559
  -OEChem-04232415002D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.4446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.4214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -0.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -1.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105   -0.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202    0.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -2.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -2.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6028   -1.7092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6028   -0.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  2  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  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
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53364559

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBAAAAHgIEAAAADAbhmCYxBoMQBACIAiFSEACCAAAkJQAoiAEODsiKJjaBlxOHMUhu5zOYiYeYyCCOBAAAAQAIAAAIAAACABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-2-[4-morpholinyl(oxo)methyl]-1,2-benzoxazol-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one

> <PUBCHEM_IUPAC_NAME>
6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-2-morpholin-4-ylcarbonyl-1,2-benzoxazol-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-2-(morpholine-4-carbonyl)indoxazen-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-15(11(9)16)12(17)14-3-5-18-6-4-14/h1-2,7H,3-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
MNZAYGAIGDCPCF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
282.0407345

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
282.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)N2C(=O)C3=C(O2)C=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)N2C(=O)C3=C(O2)C=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.0407345

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  8
13  15  8
13  16  8
15  17  8
16  18  8
17  19  8
18  19  8
3  15  8
3  7  8
7  14  8

$$$$