213032
  -OEChem-04192414022D

 46 49  0     1  0  0  0  0  0999 V2000
    5.5981    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    1.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8582    1.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4554    1.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574    0.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386   -0.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272    5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  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  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
213032

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAABUAAAHgAYAAAADEyBmAAyzoJiBACIAiVSWAKCDAAgIgAaqAFGbIgOJjKEtZ+POCDk1DEY6AeY6PyOoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-anilino-5-methyl-5-(4-phenoxyphenyl)oxazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3-anilino-5-methyl-5-(4-phenoxyphenyl)oxazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-5-(4-phenoxyphenyl)-3-phenylazanyl-1,3-oxazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-anilino-5-methyl-5-(4-phenoxyphenyl)oxazolidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
PCCSBWNGDMYFCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
374.12665706

> <PUBCHEM_MOLECULAR_FORMULA>
C22H18N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
374.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
67.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.12665706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  14  8
13  15  8
14  16  8
15  16  8
17  18  8
17  19  8
18  21  8
19  22  8
20  24  8
20  25  8
21  23  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
7  10  3
8  12  8
8  13  8

$$$$