Marvin  05011215202D          

 11 11  0  0  0  0            999 V2000
   11.1239   -4.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1239   -3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8384   -3.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5528   -3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8384   -4.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8384   -2.3810    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.8384   -1.5562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5528   -4.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2673   -4.8561    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.2673   -5.6811    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9818   -4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  1  0  0  0  0
  6  7  3  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  8  4  1  0  0  0  0
  5  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  3   6   1   9   1  10  -1
M  END
> <ID>
CHEBI:64468

> <NAME>
3-nitrobenzenediazonium

> <DEFINITION>
The aromatic diazonium ion formed from diazotisation of the amino group in 3-nitroaniline.

> <STAR>
3

> <SYNONYM>
meta-nitrobenzeneazo; m-nitrobenzeneazo; 3-nitrophenyldiazonium; 3-nitrobenzenediazonium cation

> <FORMULA>
C6H4N3O2

> <MASS>
150.11490

> <MONOISOTOPIC_MASS>
150.02980

> <CHARGE>
1

> <SMILES>
[O-][N+](=O)c1cccc(c1)[N+]#N

> <INCHI>
InChI=1S/C6H4N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4H/q+1

> <INCHIKEY>
PTZGBPAXEKEBSB-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1683014

> <PUBMED_CITATION>
13912955

$$$$