46507578
  -OEChem-05102422062D

 35 37  0     1  0  0  0  0  0999 V2000
    8.1301   -0.3450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5 35  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46507578

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
474

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAGAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAHgIUCAAADQ6BmCAwxoLQBACoAiVyUACCCAAhJwAIiAE2bogMJjbFs5vGOCjm9BHI6AeY3OLOAAAQAAIIABAAACAABBAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-chromane-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydro-2H-1-benzopyran-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>Z</I>)-<I>N</I>-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
(2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z)-N-[2,5-bis(chloranyl)phenyl]-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-N-(2,5-dichlorophenyl)-2-hydroximino-chroman-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12Cl2N2O3/c17-10-5-6-12(18)13(8-10)19-15(21)11-7-9-3-1-2-4-14(9)23-16(11)20-22/h1-6,8,11,22H,7H2,(H,19,21)/b20-16-

> <PUBCHEM_IUPAC_INCHIKEY>
IPMAWLXLSHXEHL-SILNSSARSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
350.0224976

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12Cl2N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
351.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(/C(=N/O)/OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
70.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.0224976

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  12  8
10  14  8
12  15  8
14  16  8
15  17  8
16  17  8
18  19  8
18  20  8
19  22  8
20  21  8
21  23  8
22  23  8
8  13  3

$$$$