Molecule FYI-1006359

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Molecule Summary:

ID: FYI-1006359
Names:
InChIKey: BHJTZDKKGGJCIK-UHFFFAOYSA-N
SMILES: NC(=O)C(NC=O)C(N)=O

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006359 Edit

Molecule Structure InChIKey: BHJTZDKKGGJCIK-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006359
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006359-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
   -1.7863   -1.2731   -1.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    1.6785   -1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630   -0.5427    0.8253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727   -0.8310   -0.5222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.6969    1.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    2.2057    0.8568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884   -0.1221    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402   -0.7729    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615    1.3272   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2007   -0.9726   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2092   -0.2016    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.2268   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633   -0.2604    2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1969   -1.0820    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    3.2061    0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515    1.8963    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427   -1.5480   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  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 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2023-12-29, 264👍, 0💬