The Biofilms Structural Database

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TX1 homolog (compound 19)

6D6P

Code

FY1

Name

N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide

Molecular Weight

474.1

Isomeric SMILES

COCOc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+]([O-])=O

Formula

C16H14Br2N2O5

Identifiers

~{N}-[[3,5-bis(bromanyl)-2-(methoxymethoxy)phenyl]methyl]-2-nitro-benzamide

Formal Charge

0

InChI

InChI=1S/C16H14Br2N2O5/c1-24-9-25-15-10(6-11(17)7-13(15)18)8-19-16(21)12-4-2-3-5-14(12)20(22)23/h2-7H,8-9H2,1H3,(H,19,21)

Atom Count

39

InChIKey

ZLGSUAWZOLKSNW-UHFFFAOYSA-N

PDB codes

6D6P

Type

Non-polymer

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

40

Aromatic Bond Count

12

Leaving Atoms

n/a