Molecule FYI-1004575

A

Molecule Summary:

ID: FYI-1004575
Names:
InChIKey: ZIAWVJVFIWYOGW-UHFFFAOYSA-N
SMILES: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(Cl)c1)no2

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004575 Edit

Molecule Structure InChIKey: ZIAWVJVFIWYOGW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(Cl)c1)no2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004575
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004575-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.0999    0.1018    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491   -0.1445    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157   -1.2755    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -0.8087    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616   -1.6270   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244   -0.9354   -0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882   -2.8966    0.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7105   -3.6013    0.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4988   -4.9699    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4310   -5.7540    0.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -5.2866    0.4448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6141   -6.5458    0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455   -7.7340    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -8.9658    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4033   -9.0185    1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399   -7.8336    1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629   -7.8953    2.3068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -6.5988    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853    0.5346   -0.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    0.9434   -0.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505   -0.8378    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522    0.7412    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    0.5875   -0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236   -2.2981    0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    0.0587    0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6624   -1.4040    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424   -4.4516    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057   -7.7269   -0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1456   -9.8832    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -9.9808    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -5.6871    1.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1713👍, 0💬