Molecule FYI-1013207

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A

Molecule Summary:

ID: FYI-1013207
Names:
InChIKey: CJLZBKDWQGZAKC-UHFFFAOYSA-N
SMILES: C=C(C(=O)N(O)c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2024-11-22

Molecule ID: FYI-1013207 Edit

Molecule Structure InChIKey: CJLZBKDWQGZAKC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013207
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   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  1  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  3  2  0  0  0  0
 13  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013207-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.9125    0.2512   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368    0.0476   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196   -1.2253    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2270   -1.0700    0.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023   -2.4699    0.1719 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -2.5715   -0.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -3.7370    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753   -3.8596    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091   -5.1029    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3467   -6.2570    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -6.1666   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106   -4.9198   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    1.2435   -0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5261    2.1173    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    3.2296    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    3.4757   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    2.6117   -2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136    1.5023   -1.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019   -0.5020    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    1.2209   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -2.6520    0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406   -2.9998    1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0243   -5.1567    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -7.2202    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313   -7.0660   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4041   -4.8925   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396    1.9243    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    3.8955    0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    4.3325   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.7950   -3.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    0.8344   -2.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  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 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
$$$$

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2024-12-18, 731👍, 0💬