Molecule FYI-1007160

A

Molecule Summary:

ID: FYI-1007160
Names:
InChIKey: DMYKUMIYVYNJNO-FNORWQNLSA-N
SMILES: O=N(=O)c1ccc(Cl)cc1/C=C/c3cc(O)c2ccccc2n3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007160 Edit

Molecule Structure InChIKey: DMYKUMIYVYNJNO-FNORWQNLSA-N

Molecule Structure SMILES String: O=N(=O)c1ccc(Cl)cc1/C=C/c3cc(O)c2ccccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007160
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   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
    8.4871    1.4000    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
    9.6995    3.5000    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
    8.4872    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 16 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007160-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.1687    1.5435    1.6743 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261    1.2216    0.6755 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932    0.8066    0.6822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.4088   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444    2.7007   -0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    2.9445   -2.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312    1.9032   -3.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    2.2239   -4.7089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5520    0.6114   -2.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    0.3446   -1.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5742   -1.0158   -1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -2.0031   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738   -3.3532   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739   -3.5881   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9220   -4.8798    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994   -5.1460    0.7725 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793   -5.9151    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -7.2381    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984   -8.2259    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -7.9020    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248   -6.5930   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803   -5.5822   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361   -4.3289   -0.4870 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    3.5141   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853    3.9466   -2.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783   -0.1827   -3.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -1.1661   -1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251   -1.8545   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2919   -2.7811    0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7136   -4.3218    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2827   -7.4920    1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353   -9.2369    1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395   -8.6618    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7172   -6.3536   -0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1456👍, 0💬