The Biofilms Structural Database
Name
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate
Molecular Weight
564.18
Isomeric SMILES
COc1ccc(cc1)C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+]([O-])=O
Formula
C22H16Br2N2O6
Identifiers
[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 4-methoxybenzoate
Formal Charge
0
InChI
InChI=1S/C22H16Br2N2O6/c1-31-16-8-6-13(7-9-16)22(28)32-20-14(10-15(23)11-18(20)24)12-25-21(27)17-4-2-3-5-19(17)26(29)30/h2-11H,12H2,1H3,(H,25,27)
Atom Count
48
InChIKey
ROLCPHUGRGJKFB-UHFFFAOYSA-N
PDB codes
6D6N
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
50
Aromatic Bond Count
18
Leaving Atoms