Molecule Editor

Molecule ID: FYI-1016279 Edit

Molecule Structure InChIKey: YNRXGQPISVYJJW-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc(C(F)(F)F)cc1N[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016279
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4248    0.0000 F   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  2  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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016279-3D
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.1110   -0.3062    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    0.0865    0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    0.7748    0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075    0.8499    2.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705    1.5488    3.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    2.1881    2.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4961    2.9393    3.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805    2.9026    5.1471 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7639    2.4536    4.0006 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    4.2657    3.5903 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615    2.1169    1.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    1.3936    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7128    1.3952   -0.7782 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    1.5454   -1.1476 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6870   -0.7633   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    0.5579    0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -1.0621    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004    0.3662    2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    1.5880    4.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681    2.6250    1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687    0.6143   -1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$