Molecule Editor

Molecule ID: FYI-1016106 Edit

Molecule Structure InChIKey: YQLKWVWPZCLUGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C(CCC(N=N#N)C(=O)OCC)N=N#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016106
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  3  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016106-3D
FYIcenter.com

 36 35  0     1  0  0  0  0  0999 V2000
   -2.0496   -1.7956    0.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -1.5949   -0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179   -0.6230   -1.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636   -0.3454    1.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193    1.7440   -0.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    1.9639    0.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754    2.7015    0.3946 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5076    2.9505   -0.3950 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1040    3.5855    1.0363 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.7515    3.8613   -1.0370 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4485    0.6434    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    0.6826   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    0.5542    0.4101 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8974    0.7358   -0.4095 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3681   -0.6604   -0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192   -0.4347    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028   -3.0272   -0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -2.7874    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -4.1796    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3731   -3.9743   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372   -0.2174    1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341    1.5385    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -0.2038   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0872    1.5534   -1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818    0.4798    1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.7108   -1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860   -3.0577   -0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876   -3.0987   -1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605   -2.7145    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -2.9080    1.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   -4.1469    0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838   -4.1159    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2329   -5.1395    0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -4.0443   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631   -3.8632   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -4.9062   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$