Molecule FYI-1016320

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A

Molecule Summary:

ID: FYI-1016320
Names:
InChIKey: UVSPVEYCSVXYBB-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(N)=O

Received at FYIcenter.com on: 2025-12-04

Molecule ID: FYI-1016320 Edit

Molecule Structure InChIKey: UVSPVEYCSVXYBB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016320
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  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  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016320-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
    1.5067   -0.4235    0.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    1.2979   -0.5724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614    0.8794    0.6998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9969   -0.8997   -0.6878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8092   -0.7336    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722    0.3272   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3126    0.1888   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.4829    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942   -0.1536    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -1.6616   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -0.9695    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    0.5394   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.2708    0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158    0.0626   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252   -0.7185    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8989   -1.4378   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9499   -0.6122   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6804   -1.7530   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 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
$$$$

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2025-12-09, 681👍, 0💬