Mrv0541 04171411472D          

 14 14  0  0  0  0            999 V2000
    3.7178   -2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033   -2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889   -2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -1.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   -1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -2.6674    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8599   -2.2548    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5743   -3.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033   -0.1924    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7177    0.2201    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2888    0.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1467   -1.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
  3  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
  5 11  1  0  0  0  0
  7 14  1  0  0  0  0
M  CHG  4   8   1   9  -1  11   1  12  -1
M  END
> <ID>
CHEBI:66932

> <NAME>
2,4-dinitrophenylhydrazine

> <DEFINITION>
A  C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:919

> <SYNONYM>
Brady's reagent; 2,4-Dnph; 2,4-DNP hydrazine; 1-Hydrazino-2,4-dinitrobenzene

> <FORMULA>
C6H6N4O4

> <MASS>
198.13620

> <MONOISOTOPIC_MASS>
198.03890

> <CHARGE>
0

> <SMILES>
NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

> <INCHI>
InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2

> <INCHIKEY>
HORQAOAYAYGIBM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
119-26-6

> <REAXYS_REGISTRY_NUMBER>
615586

> <CHEMIDPLUS>
119-26-6

> <KEGG_COMPOUND_ACCESSION>
C11283

> <WIKIPEDIA_ACCESSION>
2,4-Dinitrophenylhydrazine

> <PUBMED_CITATION>
1650428

$$$$