Molecule FYI-1001650

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A

Molecule Summary:

ID: FYI-1001650
SMILES: COc1ccc(cc1)/C=C/C(=O)c1cccc(c1)[N+](=O)[O-]

Received at FYIcenter.com on: 2022-10-21

Molecule ID: FYI-1001650 Edit

Molecule Structure SMILES String: COc1ccc(cc1)/C=C/C(=O)c1cccc(c1)[N+](=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001650
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   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
    8.4870    4.9000    0.0000 C   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
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    0.7000    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
    2.4249    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001650-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.0988   -0.0516    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    0.0164    0.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624   -0.7372    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -1.5426    1.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3036   -2.2937    2.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7048   -2.2530    2.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219   -1.4381    1.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -0.6926    0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -2.9883    3.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925   -4.1611    4.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721   -4.8278    5.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9392   -4.2178    5.9516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404   -6.2747    5.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3380   -7.1340    4.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1775   -8.4976    4.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5392   -9.0179    6.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573   -8.1646    7.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984   -6.7910    6.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4877   -8.7208    8.3800 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3777   -9.9484    8.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -7.9405    9.2260 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7431    0.5207   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854    0.4051    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -1.0771   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -1.6285    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7657   -2.9144    3.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4063   -1.3820    1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571   -0.0786    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888   -2.5275    4.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -4.6563    4.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0962   -6.7669    3.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -9.1588    4.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4297  -10.0866    6.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956   -6.1226    7.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$

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2022-10-21, 466👍, 0💬