56642925
  -OEChem-05132405012D

 43 41  0     0  0  0  0  0  0999 V2000
    4.0571    0.6200    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    5.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    3.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    4.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    5.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    4.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    4.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    3.3231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    6.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872    4.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    5.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5072    5.8969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    1.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 40  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642925

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
227

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAkCAAACAjhgAYCCAMQBAAoAQCwCAQAAAAAAAAAAAE4AAAAABIAgAAGAAAEAACAAACYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl (2Z)-5-(diethylamino)-2-hydroxyimino-pentanoate;iodomethane

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z)-5-(diethylamino)-2-hydroxyiminopentanoic acid ethyl ester;iodomethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl (2<I>Z</I>)-5-(diethylamino)-2-hydroxyiminopentanoate;iodomethane

> <PUBCHEM_IUPAC_NAME>
ethyl (2Z)-5-(diethylamino)-2-hydroxyiminopentanoate;iodomethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl (2Z)-5-(diethylamino)-2-hydroxyimino-pentanoate;iodanylmethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-5-(diethylamino)-2-hydroximino-valeric acid ethyl ester;iodomethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H22N2O3.CH3I/c1-4-13(5-2)9-7-8-10(12-15)11(14)16-6-3;1-2/h15H,4-9H2,1-3H3;1H3/b12-10-;

> <PUBCHEM_IUPAC_INCHIKEY>
QUJYTJMFNIBJKX-BBJSDXRSSA-N

> <PUBCHEM_EXACT_MASS>
372.09099

> <PUBCHEM_MOLECULAR_FORMULA>
C12H25IN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
372.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCCC(=NO)C(=O)OCC.CI

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCC/C(=N/O)/C(=O)OCC.CI

> <PUBCHEM_CACTVS_TPSA>
62.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.09099

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$