Marvin  01051016152D          

 21 22  0  0  0  0            999 V2000
   11.5012   -8.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5012   -9.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046   -8.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7696   -8.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7696   -7.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5012   -7.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0611   -7.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5012   -6.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0611   -6.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7696   -6.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7696   -5.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2097   -6.0524    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.2097   -5.2295    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9413   -6.4867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7037   -8.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9190   -8.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9190   -9.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7037  -10.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1886   -9.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9172   -7.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046  -10.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 12  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  3 16  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
> <ID>
CHEBI:55341

> <NAME>
1-((4-hydroxy-3-nitrophenyl)acetoxy)pyrrolidine-2,5-dione

> <DEFINITION>
The ester formed between N-hydroxysuccinimide and (4-hydroxy-3-nitrophenyl)acetic acid.

> <STAR>
3

> <SYNONYM>
NP-O-succinimide ester; NP-O-succinimide; NP-O-Su; 4-hydroxy-3-nitrophenylacetyl-O-succinimide ester; 4-hydroxy-3-nitrobenzeneacetic acid, 2,5-dioxo-1-pyrrolidinyl ester; 4-hydroxy-3-nitrobenzeneacetic acid 2,5-dioxo-1-pyrrolidinyl ester; 1-[[(4-hydroxy-3-nitrophenyl)acetyl]oxy]-2,5-pyrrolidinedione; 1-((4-hydroxy-3-nitrophenyl)acetoxy)-2,5-pyrrolidinedione

> <IUPAC_NAME>
1-[2-(4-hydroxy-3-nitrophenyl)acetoxy]pyrrolidine-2,5-dione

> <FORMULA>
C12H10N2O7

> <MASS>
294.21700

> <MONOISOTOPIC_MASS>
294.04880

> <CHARGE>
0

> <SMILES>
Oc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1[N+]([O-])=O

> <INCHI>
InChI=1S/C12H10N2O7/c15-9-2-1-7(5-8(9)14(19)20)6-12(18)21-13-10(16)3-4-11(13)17/h1-2,5,15H,3-4,6H2

> <INCHIKEY>
WXEZCVSZMLAVNV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
75679-31-1

> <REAXYS_REGISTRY_NUMBER>
15492433

> <CHEMIDPLUS>
75679-31-1

> <PUBMED_CITATION>
18432796; 6183362; 6967910; 6969772; 6972973

$$$$