Molecule FYI-1014194

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A

Molecule Summary:

ID: FYI-1014194
Names:
InChIKey: SSYOZOYJXGBBLS-UHFFFAOYSA-N
SMILES: N/C(=N\\OC(=O)c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2025-03-11

Molecule ID: FYI-1014194 Edit

Molecule Structure InChIKey: SSYOZOYJXGBBLS-UHFFFAOYSA-N

Molecule Structure SMILES String: N/C(=N\OC(=O)c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014194
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   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
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   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 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
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 18  1  0  0  0  0
  7 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014194-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    0.6879    0.2022    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -2.0261   -0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -0.3099   -0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1776    2.0054    0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9343    0.2705   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -0.3246    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341   -0.9231    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8810    1.0997   -0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306    0.6504   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6805   -1.2875    0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2274    0.7352   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9450   -1.0742   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    0.8833    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6271   -0.4584   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548   -0.5945   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343    1.3631    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494    0.6240    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -0.8355   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -1.5827    1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    2.0268   -1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9923   -2.2160    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9644    1.3786   -1.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275   -2.0225   -1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    1.4714    1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6754   -0.7424   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0452   -1.1694   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647    2.3105    1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    0.9973    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    2.7484    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010    2.2803    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3  9  2  3  0  0  0
  4  9  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1412👍, 0💬