180591
  -OEChem-05112417242D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195   -0.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6378    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    1.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    1.9546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    2.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
180591

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
379

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIIAAAADArhmCYyyIIABACIAiVSWAKCBAAhBwAaiABIZogKICLBk5WNIAhghgDYyAcQgAAOBAAAAAICAAAIAAAABAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-chloro-2-methyl-phenyl)-2-methoxy-N-(2-oxooxazolidin-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-chloro-2-methylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-chloro-2-methylphenyl)-2-methoxy-<I>N</I>-(2-oxo-1,3-oxazolidin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(5-chloro-2-methylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-chloranyl-2-methyl-phenyl)-2-methoxy-N-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-chloro-2-methyl-phenyl)-N-(2-ketooxazolidin-3-yl)-2-methoxy-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15ClN2O4/c1-9-3-4-10(14)7-11(9)16(12(17)8-19-2)15-5-6-20-13(15)18/h3-4,7H,5-6,8H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BLTYDNMJPPGTPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
298.0720347

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
298.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)Cl)N(C(=O)COC)N2CCOC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)Cl)N(C(=O)COC)N2CCOC2=O

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.0720347

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  12  8
10  14  8
12  15  8
14  18  8
15  19  8
18  19  8

$$$$