The Biofilms Structural Database |
TX1 homolog (compound 16) |
|
---|---|
6D6N |
|
Code
FXJ | |
Name |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate |
Molecular Weight |
564.18 |
Isomeric SMILES |
COc1ccc(cc1)C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+]([O-])=O |
Formula |
C22H16Br2N2O6 |
Identifiers |
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 4-methoxybenzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C22H16Br2N2O6/c1-31-16-8-6-13(7-9-16)22(28)32-20-14(10-15(23)11-18(20)24)12-25-21(27)17-4-2-3-5-19(17)26(29)30/h2-11H,12H2,1H3,(H,25,27) |
Atom Count |
48 |
InChIKey |
ROLCPHUGRGJKFB-UHFFFAOYSA-N |
PDB codes |
6D6N |
Type |
Non-polymer |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
50 |
Aromatic Bond Count |
18 |
Leaving Atoms |
n/a |