Molecule FYI-1005563

Home > Molecule

A

Molecule Summary:

ID: FYI-1005563
Names:
InChIKey: RVYPQSDNVAUOEU-UHFFFAOYSA-N
SMILES: Cc1cc(=O)oc2cc(N)c(C=O)cc12

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005563 Edit

Molecule Structure InChIKey: RVYPQSDNVAUOEU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(=O)oc2cc(N)c(C=O)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1005563
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005563-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.0471    0.1240    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5465    0.0754    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2851    1.1949    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.1979    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3806    2.2517    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3829   -0.0349   -0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384   -1.2299    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3735   -2.4171    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7191   -3.6438    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -4.8230    0.1334 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121   -3.6475    0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -4.8986    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -5.9933    0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831   -2.4486    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441   -1.2170    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    1.1521    0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467   -0.3972    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.3402   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343    2.1807    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4585   -2.3759    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990   -4.7674    0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -5.6439    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -4.7924    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4971   -2.4876    0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  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 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 753👍, 0💬