Molecule FYI-1000356

Home > Molecule

A

Molecule Summary:

ID: FYI-1000356
SMILES: CC(=O)NC1==CC=C(O)C=C1

Received at FYIcenter.com on: 2021-04-14

Molecule ID: FYI-1000356 Edit

Molecule Structure SMILES String: CC(=O)NC1==CC=C(O)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000356
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000356-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.1163    0.0098    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.3252    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    1.1884   -0.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -0.4514    0.8375 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698   -0.3875    0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5511    0.6457    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9421    0.6306    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512   -0.4230    1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9058   -0.4905    1.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7904   -1.4441    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991   -1.4221    1.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783    0.4182   -0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290    0.4660    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519   -1.0714    0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -1.1992    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1041    1.4893   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5218    1.4459    0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    0.2539    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2791   -2.2611    2.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8244   -2.2382    2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-05-16, 2303👍, 0💬