Molecule Editor

Molecule ID: FYI-1015011 Edit

Molecule Structure InChIKey: GWZZOHZAUVLYEW-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(C(=O)N(C(=O)c1ccc(N(=O)=O)cc1)C(=O)c2cccnc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015011
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  0  0  0  0
 14  4  2  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  2  0  0  0  0
 25  2  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015011-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    3.2558    3.3798   -0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    3.2763    0.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135    2.6173    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433    1.8282    1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1041    1.2735    2.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6321    1.4831    3.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250    0.8887    4.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5783    0.5346    4.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8243    0.6657    5.8915 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153   -0.0063    6.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030    0.1008    7.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575   -0.6665    5.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401   -1.3268    3.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578   -1.6544    2.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -1.3795    2.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -1.6041    1.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0743   -1.9283    0.5688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477   -1.4331    1.6865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701   -0.8464    3.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587   -0.4982    5.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    0.8779    7.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7615    0.0346    7.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4595    2.1106    7.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2385    3.2810    6.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370    4.3453    6.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2070    4.2266    7.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4196    3.1413    8.1052 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5436    2.1114    7.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    2.2410    3.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    2.7899    2.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    4.1870   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    2.4503   -1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3169    3.6423   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418    1.6328    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9975    0.6741    2.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -1.5405    3.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -2.0854    1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4045   -0.6570    3.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -0.0486    5.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3865    3.3968    5.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    5.2473    5.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    5.0233    7.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574    1.2572    8.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    2.4280    4.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9117    3.3812    2.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  2  0  0  0  0
  4  5  2  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  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
 12 20  2  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
M  END
$$$$