Molecule FYI-1001776

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Molecule Summary:

ID: FYI-1001776
SMILES: ClC1=C(COC2=CC(I)=CC=C2)C=C(C=C1)N(=O)=O

Received at FYIcenter.com on: 2022-11-29

Molecule ID: FYI-1001776 Edit

Molecule Structure SMILES String: ClC1=C(COC2=CC(I)=CC=C2)C=C(C=C1)N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001776
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 I   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
    2.4249    0.0000    0.0000 C   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001776-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.0203    0.7772   -2.6877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4915    0.3368   -1.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    1.1562    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681    2.4865   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    2.2725    0.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760    3.3786    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2522    4.7025   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    5.7344   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    7.7057   -0.3833 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5594    5.4612   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9834    4.1419    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.1085    0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.7113    1.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -0.5053    1.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200   -1.3006    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778   -0.8770   -0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -0.9390    2.7439 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856   -0.1991    3.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343   -2.0155    2.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2467    2.9702   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0973    3.1423    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003    4.9542   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2970    6.2587   -0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0443    3.9163    0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3843    2.0810    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    1.3244    2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567   -2.2439    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746   -1.5002   -1.8275 H   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
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$

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2023-01-06, 849👍, 0💬