The Biofilms Structural Database
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TX1 homolog (compound 10)

Code

FXD

Name

2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate

Molecular Weight

534.15

Isomeric SMILES

[O-][N+](=O)c1ccccc1C(=O)NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1

Formula

C21H14Br2N2O5

Identifiers

[2,4-bis(bromanyl)-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] benzoate

Formal Charge

0

InChI

InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)16-8-4-5-9-18(16)25(28)29)19(17(23)11-15)30-21(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,26)

Atom Count

44

InChIKey

TYMXZAAQZPJROA-UHFFFAOYSA-N

PDB codes

6D6A

Type

Non-polymer

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

46

Aromatic Bond Count

18

Leaving Atoms

n/a