Molecule Editor

Molecule ID: FYI-1002196 Edit

Molecule Structure InChIKey: WYIIEETUMNWGTC-SREFSNCVSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C26C(c3ccccc3)C(N(=O)=O)C(c4ccc(Br)cc4)C5CCCCC56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002196
FYIcenter.com

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 17 18  2  0  0  0  0
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  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
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  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002196-3D
FYIcenter.com

 63 68  0  0  1  0  0  0  0  0999 V2000
    1.0246    0.6168    0.6212 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1762    1.4155    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225    2.7665    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9798    3.5747   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2419    3.0154   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4732    1.6379   -0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3553   -0.5880    0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2627   -1.9397   -0.4277 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.7553   -2.2042   -4.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8197   -0.0432   -3.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.3555   -2.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662   -2.8013    0.0883 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3163   -2.1111   -0.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486   -1.4410   -1.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$