The Biofilms Structural Database
|
|
The Biofilms Structural Database |
TX1 homolog (compound 11) |
|
|---|---|
6D6B |
|
Code
FXS | |
|
Name |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate |
|
Molecular Weight |
579.15 |
|
Isomeric SMILES |
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1[N+]([O-])=O |
|
Formula |
C21H13Br2N3O7 |
|
Identifiers |
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 2-nitrobenzoate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C21H13Br2N3O7/c22-13-9-12(11-24-20(27)14-5-1-3-7-17(14)25(29)30)19(16(23)10-13)33-21(28)15-6-2-4-8-18(15)26(31)32/h1-10H,11H2,(H,24,27) |
|
Atom Count |
46 |
|
InChIKey |
LZFWIBPLLYTTGG-UHFFFAOYSA-N |
|
PDB codes |
6D6B |
|
Type |
Non-polymer |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
48 |
|
Aromatic Bond Count |
18 |
|
Leaving Atoms |
n/a |