Molecule Editor

Molecule ID: FYI-1002404 Edit

Molecule Structure InChIKey: VAMXMNNIEUEQDV-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1002404
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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  2  0  0  0  0
  5  3  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
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002404-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.1197    0.8689   -0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887   -1.2392    0.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268   -2.3007   -0.2313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388    0.0720    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574   -0.9610   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847    1.3881    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218   -0.6777   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8490    1.6712    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7676    0.6383   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930   -0.1906    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446    0.7308   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022    2.2148    0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485   -1.4730   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968    2.6954    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8298    0.8589   -0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558   -2.5345   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -3.0354   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503   -0.1092   -0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    0.5916    0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809    1.6495   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$