53364501
  -OEChem-05032420222D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -2.9065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    2.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.9065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432    0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    1.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294    2.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937    1.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    2.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    3.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    2.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53364501

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIEAAAADAbhmiYwjtMQBACpAqByWgCCCAAkJQAomCEuTtoOJ76Ft5uLM+Bn5h2Y7ceYyCCOBAAAAQAIAAAIAAACABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
4-morpholinecarboxylic acid (6-chloro-1,2-benzoxazol-3-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

> <PUBCHEM_IUPAC_NAME>
(6-chloro-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6-chloranyl-1,2-benzoxazol-3-yl) morpholine-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
morpholine-4-carboxylic acid (6-chloroindoxazen-3-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-14-11(9)18-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
DQZUSDBQCBLETH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
282.0407345

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
282.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)OC2=NOC3=C2C=CC(=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)OC2=NOC3=C2C=CC(=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
64.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.0407345

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  8
13  15  8
13  16  8
15  17  8
16  18  8
17  19  8
18  19  8
4  15  8
4  7  8
7  14  8

$$$$