null
  CDK     0225161908
null
 25 27  0  0  0  0  0  0  0  0999 V2000
    2.3454   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.1286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    0.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    2.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    0.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924   -0.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.2055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648   -0.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -0.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648   -1.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
 20 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
M  CHG  1  23   1
M  CHG  1  25  -1
M  END
> <ID>
CHEBI:120799

> <NAME>
1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester

> <STAR>
2

> <FORMULA>
C16H12N4O5

> <MASS>
340.291

> <MONOISOTOPIC_MASS>
340.08077

> <CHARGE>
0

> <SMILES>
C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

> <INCHI>
InChI=1S/C16H12N4O5/c21-14(17-10-5-7-11(8-6-10)20(23)24)9-25-16(22)15-12-3-1-2-4-13(12)18-19-15/h1-8H,9H2,(H,17,21)(H,18,19)

> <INCHIKEY>
KMAJRGJBFOTMBZ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32242

$$$$