Molecule FYI-1014415

Home > Molecule

A

Molecule Summary:

ID: FYI-1014415
Names:
InChIKey: LEUNAONOVWMYPL-FOCLMDBBSA-N
SMILES: Nc2ccc(/N=N/c1ccccc1N(=O)=O)c(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014415 Edit

Molecule Structure InChIKey: LEUNAONOVWMYPL-FOCLMDBBSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccccc1N(=O)=O)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014415
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6996    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   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
    8.4870    4.2000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014415-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.1208   -0.3494   -0.2856 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4977   -0.2057   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    0.7390   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710    0.8268   -0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -0.0306    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6344    0.1028    0.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249   -0.9881    0.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6301   -0.8239    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1934    0.1485   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5739    0.3262   -0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4366   -0.4772   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9162   -1.4545    0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5181   -1.6311    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0406   -2.6850    1.7607 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.9291    1.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8947   -3.2977    2.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440   -0.9489    0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9908   -1.7599    1.8678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020   -1.0455    0.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312    0.5269   -0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -1.0552    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638    1.3932   -1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    1.5645   -1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    0.7776   -1.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697    1.0879   -1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5130   -0.3485   -0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6138   -2.0777    1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8665   -2.1962    1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -2.4292    2.1634 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
  2  3  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 727👍, 0💬