The Biofilms Structural Database |
TX1 homolog (compound 10) |
|
---|---|
6D6A |
|
Code
FXD | |
Name |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate |
Molecular Weight |
534.15 |
Isomeric SMILES |
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 |
Formula |
C21H14Br2N2O5 |
Identifiers |
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] benzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)16-8-4-5-9-18(16)25(28)29)19(17(23)11-15)30-21(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,26) |
Atom Count |
44 |
InChIKey |
TYMXZAAQZPJROA-UHFFFAOYSA-N |
PDB codes |
6D6A |
Type |
Non-polymer |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
46 |
Aromatic Bond Count |
18 |
Leaving Atoms |
n/a |