The Biofilms Structural Database

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TP1

Code

TX1

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

0

Chiral Atoms

n/a

Bond Count

46

Aromatic Bond Count

18

Leaving Atoms

n/a