Marvin  07090717472D          

 11 12  0  0  0  0            999 V2000
   -0.3437    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582    2.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0582    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437    0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707    2.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707    1.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    2.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689    3.1206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689    0.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    1.6563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  7  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 11  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <ID>
CHEBI:38817

> <NAME>
phthalimide

> <DEFINITION>
A  dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.

> <STAR>
3

> <SYNONYM>
o-Phthalic imide; 2-Diazoindan-1,3-dione; 1H-Isoindole-1,3(2H)-dione; 1,3-Isoindolinedione

> <IUPAC_NAME>
1H-isoindole-1,3(2H)-dione

> <FORMULA>
C8H5NO2

> <MASS>
147.13084

> <MONOISOTOPIC_MASS>
147.03203

> <CHARGE>
0

> <SMILES>
O=C1NC(=O)c2ccccc12

> <INCHI>
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)

> <INCHIKEY>
XKJCHHZQLQNZHY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
118522

> <CAS_REGISTRY_NUMBER>
85-41-6

> <REAXYS_REGISTRY_NUMBER>
118522

> <CHEMIDPLUS>
85-41-6

> <NIST_CHEMISTRY_WEBBOOK>
85-41-6

> <WIKIPEDIA_ACCESSION>
Phthalimide

> <PUBMED_CITATION>
16610900; 24171082

$$$$