The Biofilms Structural Database
Name
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
Molecular Weight
579.15
Isomeric SMILES
[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1[N+]([O-])=O
Formula
C21H13Br2N3O7
Identifiers
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 2-nitrobenzoate
Formal Charge
0
InChI
InChI=1S/C21H13Br2N3O7/c22-13-9-12(11-24-20(27)14-5-1-3-7-17(14)25(29)30)19(16(23)10-13)33-21(28)15-6-2-4-8-18(15)26(31)32/h1-10H,11H2,(H,24,27)
Atom Count
46
InChIKey
LZFWIBPLLYTTGG-UHFFFAOYSA-N
PDB codes
6D6B
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
48
Aromatic Bond Count
18
Leaving Atoms