Molecule FYI-1002274

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A

Molecule Summary:

ID: FYI-1002274
Names:
InChIKey: RAFRTOGEZUWVAX-XVNBXDOJSA-N
SMILES: O=c1oc(=NO)c2nn(I)n(=O)c12

Received at FYIcenter.com on: 2023-02-17

Molecule ID: FYI-1002274 Edit

Molecule Structure InChIKey: RAFRTOGEZUWVAX-XVNBXDOJSA-N

Molecule Structure SMILES String: O=c1oc(=NO)c2nn(I)n(=O)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002274
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.5169    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    1.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0871    1.9387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2995    1.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    5.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    3.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    2.4098    0.0000 N   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  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 13  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002274-3D
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.1672    0.1441   -0.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438    0.0786   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1635    1.1626    0.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    0.6998    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    1.4108    0.9049 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0930    2.7670    0.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4299   -0.7272    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777   -1.7591    0.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4205   -2.8029    0.2638 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0581   -4.6536    0.3239 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -2.3892   -0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814   -3.1939   -0.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339   -1.0728    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9010    3.1848    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  3  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$

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2023-03-17, 558👍, 0💬