Molecule Editor

Molecule ID: FYI-1017643 Edit

Molecule Structure InChIKey: YXEGGLISLXXFOH-TWGQIWQCSA-N

Molecule Structure SMILES String: O=C/1NCOC1=C/c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1017643
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017643-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -1.2768   -1.2297    0.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    1.6890   -0.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4738   -0.5101    0.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    0.0853   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495   -1.6271    0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334    0.4267   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.8424   -0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7188    0.5824   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834    1.0837    0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149   -0.6291   -0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.6850    0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -1.0278   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -0.3707    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -1.9108    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8645   -2.4646   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903    1.8783   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4887   -0.5205    0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    1.9081    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -1.1509   -1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9770    1.1965    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220   -1.8492   -1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335   -0.6811    0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$