Molecule FYI-1001682

Home > Molecule

A

Molecule Summary:

ID: FYI-1001682
SMILES: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

Received at FYIcenter.com on: 2022-11-05

Molecule ID: FYI-1001682 Edit

Molecule Structure SMILES String: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001682
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4124    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  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001682-3D
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.6330    1.5307   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599    0.3590   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.8507   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0133   -0.7371   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214   -1.0654   -2.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -1.3266   -1.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8314   -2.3115   -1.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740   -2.5549   -3.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9106   -3.5769   -3.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9380   -4.3523   -3.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4528   -4.0938   -2.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9026   -3.0643   -1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035   -5.4649   -4.1856 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7321   -6.3767   -4.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7187   -5.4304   -4.4081 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3949   -3.7736   -5.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -2.7992   -5.7793 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3965   -3.7529   -6.3071 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7293   -4.9425   -5.5591 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3511    2.3261    0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    1.9535   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6558    1.2245   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7048   -0.0763    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    1.2582   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9467    1.6322    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    0.0276   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093   -1.1418   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958   -1.9292   -3.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676   -4.6936   -1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3014   -2.8863   -0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 1897👍, 0💬