Molecule FYI-1003755

A

Molecule Summary:

ID: FYI-1003755
Names:
InChIKey: ZPXCCKNCXXASHV-HMMYKYKNSA-N
SMILES: Cc2nn(C(=O)c1ccc(N(=O)=O)cc1)c(=O)c2=NNc3ccc(N(=O)=O)cc3Cl

Received at FYIcenter.com on: 2023-07-25

Molecule ID: FYI-1003755 Edit

Molecule Structure InChIKey: ZPXCCKNCXXASHV-HMMYKYKNSA-N

Molecule Structure SMILES String: Cc2nn(C(=O)c1ccc(N(=O)=O)cc1)c(=O)c2=NNc3ccc(N(=O)=O)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003755
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.3806    8.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    7.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    3.6373    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.8911   12.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217   11.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446   10.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   13.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6377   15.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759   13.6465    0.0000 O   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  2  0  0  0  0
  5  4  1  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  2  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003755-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.5747    0.3384    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -0.1247    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668   -1.3551    0.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   -1.3585    0.0775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688   -2.5561    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910   -2.6305    0.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999   -3.8382   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577   -4.9530    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -6.1476    0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8673   -6.2253   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -7.4536   -0.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367   -8.4112    0.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7349   -7.4567   -0.6777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060   -5.1350   -0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524   -3.9602   -0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044   -0.0788    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3357    0.3543    0.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0107    0.8002    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1184    2.0890   -0.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550    2.7803   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418    4.0988    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    4.9182    0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    6.2279    0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  3  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  2  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 41  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 1967👍, 0💬