The Biofilms Structural Database
Name
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
Molecular Weight
568.6
Isomeric SMILES
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1
Formula
C21H13Br2ClN2O5
Identifiers
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 4-chloranylbenzoate
Formal Charge
0
InChI
InChI=1S/C21H13Br2ClN2O5/c22-14-9-13(11-25-20(27)16-3-1-2-4-18(16)26(29)30)19(17(23)10-14)31-21(28)12-5-7-15(24)8-6-12/h1-10H,11H2,(H,25,27)
Atom Count
44
InChIKey
ZGBRPLXRTPRBNE-UHFFFAOYSA-N
PDB codes
6D6L
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
46
Aromatic Bond Count
18
Leaving Atoms