46507576
  -OEChem-04192402422D

 35 37  0     1  0  0  0  0  0999 V2000
    8.1301    0.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 35  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 28  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46507576

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAHgIUCAAADQ6BmCAwxoLQBACoAiVyUACCCAAhJwAIiAE2bogMJjbFs5vGOCjm9BHI6AeY3OLOAAAAAAAIABAAAAAAABAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z)-N-(2-chlorophenyl)-2-hydroxyimino-chromane-3-carboxamide

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z)-N-(2-chlorophenyl)-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-N-(2-chlorophenyl)-2-hydroximino-chroman-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13ClN2O3/c17-12-6-2-3-7-13(12)18-15(20)11-9-10-5-1-4-8-14(10)22-16(11)19-21/h1-8,11,21H,9H2,(H,18,20)/b19-16-

> <PUBCHEM_IUPAC_INCHIKEY>
ILBFXYFIQCDXQO-MNDPQUGUSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
316.0614700

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
316.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(/C(=N/O)/OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3Cl

> <PUBCHEM_CACTVS_TPSA>
70.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.0614700

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
11  14  8
13  15  8
14  16  8
15  16  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
7  12  3
9  11  8
9  13  8

$$$$