4563260
  -OEChem-04252405002D

 38 41  0     0  0  0  0  0  0999 V2000
    2.0000    0.3344    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    0.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7848   -1.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268   -1.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5550   -1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    0.4161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1588   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909   -1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5608    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1588   -1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249   -1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781    1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4562    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7848    0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6909   -0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6909   -1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249    1.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   -1.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    1.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249   -2.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2259    2.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9170    1.8255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7777    1.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -0.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    2.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2266    0.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301   -0.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    1.8541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 16  2  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 25  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 24 26  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4563260

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
572

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAEAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgIQAAAADA6BmCAwzoLABECIAqXSWAKCCAAlJwAIiAHGbsgOJjLFt7+HOyjk1BHY6Ye43/LuBEAAQAAIAAAIgACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-chlorophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-chlorophenyl)-N-(2-oxo-1-benzopyran-6-yl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(4-chlorophenyl)-<I>N</I>-(2-oxochromen-6-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(4-chlorophenyl)-N-(2-oxochromen-6-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-chlorophenyl)-N-(2-oxidanylidenechromen-6-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-chlorophenyl)-N-(2-ketochromen-6-yl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H12ClNO4/c21-14-4-1-12(2-5-14)16-8-9-18(25-16)20(24)22-15-6-7-17-13(11-15)3-10-19(23)26-17/h1-11H,(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
CFIBLWVDSOULEN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
365.0454856

> <PUBCHEM_MOLECULAR_FORMULA>
C20H12ClNO4

> <PUBCHEM_MOLECULAR_WEIGHT>
365.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)OC(=O)C=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
68.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.0454856

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  17  8
12  18  8
13  20  8
13  21  8
14  15  8
17  18  8
19  22  8
2  11  8
2  12  8
20  24  8
21  25  8
22  23  8
24  26  8
25  26  8
3  23  8
3  9  8
7  10  8
7  19  8
7  9  8
8  10  8
8  14  8
9  15  8

$$$$