Molecule Editor

Molecule ID: FYI-1016020 Edit

Molecule Structure InChIKey: PHENTZNALBMCQD-UHFFFAOYSA-M

Molecule Structure SMILES String: CC(CNC(N)=O)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016020
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016020-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
   -1.8787    1.4897   -0.5874 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8209    0.1386    0.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204   -0.8407   -0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9156    0.4943   -0.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    1.0802    0.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -0.7952   -0.4589 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0959   -0.2949   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -1.8249    0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497    0.3965    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204    0.1565    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -1.2975   -1.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720   -1.1457   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342    0.3369   -1.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.3665    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8262   -2.2859    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -2.6271    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424    1.3733    0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    1.8963    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7372    0.9672    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$