54702518
  -OEChem-04272400222D

 35 36  0     0  0  0  0  0  0999 V2000
    4.3211    0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    3.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    1.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8359    3.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2426    3.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9628    2.8062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    3.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7071    4.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 30  1  0  0  0  0
  2 11  2  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 17  2  0  0  0  0
  5 19  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54702518

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
486

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAQCAAADAzhmAYyyILABgCIAiXSWAKCAAAhIgAIiIHIZMgKIDLAlbGHIAhglgDYyQcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-[[(2E)-2-hydroxy-2-(2-oxoindolin-3-ylidene)acetyl]amino]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[(2E)-2-hydroxy-1-oxo-2-(2-oxo-1H-indol-3-ylidene)ethyl]amino]acetic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-[[(2<I>E</I>)-2-hydroxy-2-(2-oxo-1<I>H</I>-indol-3-ylidene)acetyl]amino]acetate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-[[(2E)-2-hydroxy-2-(2-oxo-1H-indol-3-ylidene)acetyl]amino]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-[[(2E)-2-oxidanyl-2-(2-oxidanylidene-1H-indol-3-ylidene)ethanoyl]amino]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[(2E)-2-hydroxy-2-(2-ketoindolin-3-ylidene)acetyl]amino]acetic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2O5/c1-2-21-10(17)7-15-14(20)12(18)11-8-5-3-4-6-9(8)16-13(11)19/h3-6,18H,2,7H2,1H3,(H,15,20)(H,16,19)/b12-11+

> <PUBCHEM_IUPAC_INCHIKEY>
FNAAEUDMHNBQMF-VAWYXSNFSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
290.09027155

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
290.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)CNC(=O)C(=C1C2=CC=CC=C2NC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)CNC(=O)/C(=C\1/C2=CC=CC=C2NC1=O)/O

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.09027155

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
10  14  8
12  15  8
14  16  8
15  16  8
8  10  8
8  12  8

$$$$