Molecule Editor

Molecule ID: FYI-1014774 Edit

Molecule Structure InChIKey: UWPWWENWLZPQGU-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(Cl)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014774
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570    1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    2.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626    2.5837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014774-3D
FYIcenter.com

 10  9  0     1  0  0  0  0  0999 V2000
   -1.5159   -1.2374   -0.4701 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4065   -1.1227    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    1.0170   -0.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190    1.2798    0.1573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769    0.0115    0.4595 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7687    0.0519    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468   -0.2100    1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    1.4734   -0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332    2.0376    0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -1.0908    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$