63115654
  -OEChem-05042420122D

 35 36  0     0  0  0  0  0  0999 V2000
    7.7331    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3 20  1  0  0  0  0
  3 35  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63115654

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyBmAIyzoLABgCIAiXSWACCCAAlIgAIiAEGbMgMJjrEtZuEcahm1BHI+ce+yDCOAACBQAACAAAAAQKAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-2-[(3-methoxybenzoyl)amino]benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-2-[[(3-methoxyphenyl)-oxomethyl]amino]benzoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-amino-2-[(3-methoxybenzoyl)amino]benzoic acid

> <PUBCHEM_IUPAC_NAME>
5-amino-2-[(3-methoxybenzoyl)amino]benzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-2-[(3-methoxyphenyl)carbonylamino]benzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-2-(m-anisoylamino)benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2O4/c1-21-11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15(19)20/h2-8H,16H2,1H3,(H,17,18)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
NOMQSWAOOVRPID-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
286.09535693

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
286.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.09535693

> <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>
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>
10  14  8
11  13  8
13  14  8
15  17  8
16  18  8
17  19  8
18  19  8
7  10  8
7  8  8
8  11  8
9  15  8
9  16  8

$$$$