Molecule FYI-1004577

A

Molecule Summary:

ID: FYI-1004577
Names:
InChIKey: IAMWWUBJDWFUQX-UHFFFAOYSA-N
SMILES: Cc2ccc(NC(=O)O/N=C(N)/c1cc(C)on1)cc2

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

Molecule ID: FYI-1004577 Edit

Molecule Structure InChIKey: IAMWWUBJDWFUQX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(NC(=O)O/N=C(N)/c1cc(C)on1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004577
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.0655    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  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-1004577-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.2459   -0.3029   -1.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8062   -0.1731   -1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748    1.0630   -1.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672    1.2064   -0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220    0.1218   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3010    0.2300   -0.0799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544    1.3992   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6287    2.5395   -0.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4100    1.0990   -0.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9957    1.7828    0.9952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2867    1.6384    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1246    1.0209    0.1592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9567    2.1996    2.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3649    2.8919    3.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4047    3.1801    4.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5184    3.8752    5.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5570    2.6959    3.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2888    2.0967    2.4133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895   -1.1252   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663   -1.2717   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    0.6632   -1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -0.9924   -2.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.6588   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7168    1.9409   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892    2.2024   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7996   -0.5981    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7693    0.9894   -0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0970    1.3236    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3215    3.1399    3.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5643    4.3302    5.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8129    3.1796    6.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2670    4.6716    5.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8275   -2.0070    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5384   -2.2503   -0.5890 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  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2166👍, 0💬