44312236
  -OEChem-05112419212D

 38 41  0     0  0  0  0  0  0999 V2000
   11.5964   -0.6583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8820    2.7314    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5766   -1.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.8319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2177    1.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3037    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2822    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9285    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5713    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2392    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1856   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    0.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1788    2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7574   -0.7095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.1089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4103    1.8321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6 24  1  0  0  0  0
  6 38  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  2  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44312236

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
628

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAGAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB0AAAHgIQCAAADA6hmCIwxoLABkCIAq1S0AKCCAAlJ0AIiAFGb8gMJjLHt5+GeSjk1BHI+Yecz/C+KAACIACCCABQAARAAQQQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-3-[(3,5-dichloro-4-hydroxy-phenyl)methylene]-5-(furan-2-carbonyl)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-[2-furanyl(oxo)methyl]-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-carbonyl)-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-carbonyl)-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-3-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methylidene]-5-(furan-2-ylcarbonyl)-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-3-(3,5-dichloro-4-hydroxy-benzylidene)-5-(2-furoyl)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-

> <PUBCHEM_IUPAC_INCHIKEY>
XKTUKRBLWOHYIL-MLPAPPSSSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
399.0065132

> <PUBCHEM_MOLECULAR_FORMULA>
C20H11Cl2NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
400.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Cl)O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C(=O)C2=CC\3=C(C=C2)NC(=O)/C3=C\C4=CC(=C(C(=C4)Cl)O)Cl

> <PUBCHEM_CACTVS_TPSA>
79.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.0065132

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
11  13  8
13  16  8
14  16  8
17  19  8
17  20  8
19  23  8
20  22  8
21  25  8
22  24  8
23  24  8
25  26  8
26  27  8
4  21  8
4  27  8
8  11  8
8  9  8
9  14  8

$$$$