The Biofilms Structural Database |
TP1 |
|
---|---|
3IX4 |
|
Code
TX1 | |
Name |
2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate |
Molecular Weight |
568.6 |
Isomeric SMILES |
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Cl |
Formula |
C21H13Br2ClN2O5 |
Identifiers |
[2,4-dibromo-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 2-chlorobenzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27) |
Atom Count |
44 |
InChIKey |
WKUUVOPOQKZMFY-UHFFFAOYSA-N |
PDB codes |
3IX4 |
Type |
Non-polymer |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
46 |
Aromatic Bond Count |
18 |
Leaving Atoms |
n/a |