51180405
  -OEChem-04162410022D

 38 40  0     0  0  0  0  0  0999 V2000
    6.3981    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201   -0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401    0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51180405

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQAAAADAzhmAYyxoPABACIAiVSUACCCAAlIgAIiAGOfMgMZjbEtbuWOWjm9hHI6YeYyCCOAAAAAAAIACAAAAAAABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(2-ethoxyphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-ethoxyphenyl)carbonyl-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16N2O3/c1-2-22-15-10-6-3-7-12(15)17(21)19-11-16(20)18-13-8-4-5-9-14(13)19/h3-10H,2,11H2,1H3,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
AUDPUTJWVBKQJP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
296.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C17H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
296.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=CC=CC=C32

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  14  8
11  17  8
12  15  8
13  16  8
14  18  8
15  16  8
17  19  8
18  20  8
19  20  8
6  12  8
6  8  8
8  13  8

$$$$