The Biofilms Structural Database
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
Chiral Atoms
n/a
Bond Count
46
Aromatic Bond Count
18
Leaving Atoms