The Biofilms Structural Database |
TX1 homolog (compound 12) |
|
---|---|
6D6C |
|
Code
FYD | |
Name |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate |
Molecular Weight |
564.18 |
Isomeric SMILES |
COc1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+]([O-])=O |
Formula |
C22H16Br2N2O6 |
Identifiers |
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 2-methoxybenzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C22H16Br2N2O6/c1-31-19-9-5-3-7-16(19)22(28)32-20-13(10-14(23)11-17(20)24)12-25-21(27)15-6-2-4-8-18(15)26(29)30/h2-11H,12H2,1H3,(H,25,27) |
Atom Count |
48 |
InChIKey |
UJZBVAOLSMKIHH-UHFFFAOYSA-N |
PDB codes |
6D6C |
Type |
Non-polymer |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
50 |
Aromatic Bond Count |
18 |
Leaving Atoms |
n/a |