Molecule FYI-1007485

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Molecule Summary:

ID: FYI-1007485
Names:
InChIKey: RNDJMASGTVNTNQ-ROBNAOGRSA-N
SMILES: CCOC(=O)/C(N=O)=C(C)/N=N/C(C)=O

Received at FYIcenter.com on: 2024-02-24

Molecule ID: FYI-1007485 Edit

Molecule Structure InChIKey: RNDJMASGTVNTNQ-ROBNAOGRSA-N

Molecule Structure SMILES String: CCOC(=O)/C(N=O)=C(C)/N=N/C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007485
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   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
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007485-3D
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    1.8549    1.3543    1.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3825    0.1081    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -0.6986    1.2514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -0.2973    1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888    0.5045    0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -0.8728    2.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133   -1.2616    3.7134 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1535   -0.4181    3.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2402   -0.9648    3.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3478   -0.6160    2.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6955   -1.3065    4.3097 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -2.1499    4.3523 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480   -2.2800    5.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1880   -2.6292    6.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3559   -2.1881    5.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3093    1.9942    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    1.9353    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871    1.0762    1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079    0.3639   -0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443   -0.4886   -0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0199   -0.3580    1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0209   -1.4707    1.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9344    0.2237    2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1458   -2.5398    6.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3584   -1.9536    7.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3713   -3.6609    7.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1376👍, 0💬