Molecule FYI-1000354

A

Molecule Summary:

ID: FYI-1000354
SMILES: BrC(C(OC(C)(C)C)=O)C1=C([N+]([O-])=O)C=CC=C1

Received at FYIcenter.com on: 2021-04-13

Molecule Structure Displayed in 2D:

Molecule Structure SDF File:

FYI-1000354
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.7321    0.5670    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5062    2.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    3.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201    3.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932    2.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    0.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    0.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
  2 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

Molecule Structure SVG File:

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2021-10-10, 138👍, 0💬