Chemical Components in the PDB

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NL8 : Summary

Code

NL8

One-letter code

X

Molecule name

~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

Formula

C15 H14 N2 O4

Formal charge

0

Molecular weight

286.283 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O
Canonical SMILES CACTVS 3.385 CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O

IUPAC InChI

InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)

IUPAC InChI key

BCONCFRKDGKCRJ-UHFFFAOYSA-N
NL8

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-12-06

Last modified at

2020-10-09

Status

Released

Obsoleted

Not Assigned