Molecule FYI-1005891

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Molecule Summary:

ID: FYI-1005891
Names:
InChIKey: RRVPABSEZXWXNU-VURMDHGXSA-N
SMILES: CCN(CC)/N(=O)=N/OC

Received at FYIcenter.com on: 2023-11-19

Molecule ID: FYI-1005891 Edit

Molecule Structure InChIKey: RRVPABSEZXWXNU-VURMDHGXSA-N

Molecule Structure SMILES String: CCN(CC)/N(=O)=N/OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005891
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005891-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
   -0.2912   -1.2273    0.9990 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4943   -0.3922    0.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.1408   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -0.3470    0.0714 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3810    0.1764   -0.4087 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072   -0.4700    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    1.5915   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -1.8929   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.2211    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640    0.1996   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    0.0785   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957   -0.4489    1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147    1.8279   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    2.0418   -1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825   -2.5564   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -1.9313   -1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -2.3038   -0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803    1.9722    1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3394    1.9271    1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063    3.3120    0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632    1.2791   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5357   -0.2379    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7292   -0.0039   -1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  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
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$

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2023-11-25, 445👍, 0💬