
 clonazepam

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4335   -0.0575   -0.2848 C   0  0  0  0  0
    1.9880   -1.2966    0.4678 C   0  0  0  0  0
    2.7799   -2.1525    0.8651 O   0  0  0  0  0
    0.6421   -1.5233    0.5898 N   0  0  0  0  0
   -0.4007   -0.7094    0.1254 C   0  0  0  0  0
   -0.3176    0.6876   -0.0282 C   0  0  0  0  0
   -1.3822    1.3908   -0.6187 C   0  0  0  0  0
   -2.5546    0.7086   -0.9717 C   0  0  0  0  0
   -2.6734   -0.6664   -0.7443 C   0  0  0  0  0
   -1.5974   -1.3670   -0.1957 C   0  0  0  0  0
   -3.6826    1.4466   -1.5531 N   0  0  0  0  0
   -4.7035    0.8069   -1.8407 O   0  0  0  0  0
   -3.5423    2.6662   -1.7228 O   0  0  0  0  0
    0.8144    1.4711    0.5564 C   0  0  0  0  0
    2.0576    1.1457    0.4456 N   0  0  0  0  0
    0.5300    2.7408    1.3123 C   0  0  0  0  0
    1.4086    3.8150    1.0788 C   0  0  0  0  0
    1.2336    5.0388    1.7270 C   0  0  0  0  0
    0.1758    5.2076    2.6142 C   0  0  0  0  0
   -0.6895    4.1441    2.8735 C   0  0  0  0  0
   -0.5078    2.9054    2.2431 C   0  0  0  0  0
   -1.5644    1.6302    2.7384 Cl  0  0  0  0  0
    3.5253   -0.0853   -0.3677 H   0  0  0  0  0
    2.0404   -0.0665   -1.3077 H   0  0  0  0  0
    0.4359   -2.4626    0.9091 H   0  0  0  0  0
   -1.3079    2.4670   -0.7667 H   0  0  0  0  0
   -3.5848   -1.2066   -0.9954 H   0  0  0  0  0
   -1.6947   -2.4422   -0.0519 H   0  0  0  0  0
    2.2471    3.6969    0.3935 H   0  0  0  0  0
    1.9285    5.8547    1.5426 H   0  0  0  0  0
    0.0359    6.1602    3.1203 H   0  0  0  0  0
   -1.4969    4.2832    3.5893 H   0  0  0  0  0
  1 15  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 19  2  0  0  0
 18 30  1  0  0  0
 19 20  1  0  0  0
 19 31  1  0  0  0
 20 21  2  0  0  0
 20 32  1  0  0  0
 21 22  1  0  0  0
M  CHG  2  11   1  13  -1
M  END

>  <Chemical Name>
clonazepam

>  <PubChem CID>
2802

>  <Formula>
C15H10ClN3O3

>  <Molecular Weight>
315.713000

>  <IUPAC Name>
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one

>  <XlogP>
2.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)

>  <InChI Key>
DGBIGWXXNGSACT-UHFFFAOYSA-N

