null
  CDK     0224162156
null
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2841   -0.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5612   -0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555   -0.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326   -0.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    0.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    0.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145    0.9047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956    1.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -0.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8728   -0.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456   -1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6423   -1.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283   -1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -1.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371   -1.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1571   -1.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459   -0.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1347    0.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14  7  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16  6  1  0  0  0  0 
 13 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 12  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  2  0  0  0  0 
  9 24  1  0  0  0  0 
M  CHG  1  22   1
M  CHG  1  23  -1
M  END
> <ID>
CHEBI:93452

> <NAME>
8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester

> <STAR>
2

> <FORMULA>
C15H14N6O3

> <MASS>
326.311

> <MONOISOTOPIC_MASS>
326.11274

> <CHARGE>
0

> <SMILES>
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C

> <INCHI>
InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3

> <INCHIKEY>
CFSOJZTUTOQNIA-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-3861

$$$$