Molecule FYI-1012664

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Molecule Summary:

ID: FYI-1012664
Names:
InChIKey: PEYZZHBZAUNXCI-UHFFFAOYSA-N
SMILES: CC(c1ccoc1)N(O)C(N)=O

Received at FYIcenter.com on: 2024-10-06

Molecule ID: FYI-1012664 Edit

Molecule Structure InChIKey: PEYZZHBZAUNXCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(c1ccoc1)N(O)C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012664
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   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 N   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  2  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
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012664-3D
FYIcenter.com

 22 22  0     1  0  0  0  0  0999 V2000
   -2.8551   -1.2752    0.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    0.9359    1.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -1.0544   -1.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    0.2950    0.2144 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127   -0.6131    1.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    0.5495   -0.7688 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1320    0.0534   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889    2.0408   -1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705    0.8054    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187   -1.1920   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227   -0.0557    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -0.4896   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    0.0105   -1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    2.2567   -1.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549    2.3557   -1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    2.6741   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246    1.8331    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -2.0926   -0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0818    0.0401    1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    0.2060    1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0568   -1.1722    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295   -0.1468    1.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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