Molecule FYI-1001939

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Molecule Summary:

ID: FYI-1001939
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

Received at FYIcenter.com on: 2023-01-02

Molecule ID: FYI-1001939 Edit

Molecule Structure SMILES String: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001939
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.8642    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9025    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    3.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    2.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    1.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    5.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    8.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    9.6749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   10.6117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001939-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    1.8509   -0.8429   -1.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583   -0.3518   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530    0.8417   -1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    1.2334   -0.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020    0.4108    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    0.6812    1.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -0.7705    0.8654 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559   -1.2685    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0237   -2.4085    0.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752    2.4471   -0.6001 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3261    3.4962    0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    4.7482   -0.2425 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9970    4.5406   -1.5689 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9197    3.1110   -1.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363    5.2089   -2.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    4.9758   -3.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902    4.7453   -0.4436 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8741    5.2700    0.4551 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4944    5.7538    1.2798 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.5230   -0.0770   -2.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.1323   -1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -1.7136   -2.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305    1.5344   -1.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090   -1.3937    1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    2.1451   -0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.2578    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036    3.6059    0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4119    5.6720    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564    4.8772   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6259    4.7946   -3.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7238    6.2898   -2.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7616    4.0048   -4.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-08, 2554👍, 0💬