CDK     0521202331

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.0130   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139    0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0016   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -0.8646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280    0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436    0.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368    1.6112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294    1.4419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472    0.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5915    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412   -0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026   -0.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 10  1  0  0  0  0 
  5  6  2  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
  6  4  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 17  1  0  0  0  0 
  5  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
 16 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 13  1  0  0  0  0 
 16 17  2  0  0  0  0 
  2  3  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  5  1  0  0  0  0 
  3  4  2  0  0  0  0 
 16 21  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
M  END
> <ID>
CHEBI:149976

> <NAME>
Benzotriazol-1-yl 1H-indole-5-carboxylate

> <STAR>
2

> <FORMULA>
C15H10N4O2

> <MASS>
278.271

> <MONOISOTOPIC_MASS>
278.08038

> <CHARGE>
0

> <SMILES>
C=1C2=C(C=C(C(ON3C4=C(N=N3)C=CC=C4)=O)C1)C=CN2

> <INCHI>
InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H

> <INCHIKEY>
YPFWNRLSYPAVJB-UHFFFAOYSA-N

$$$$