Chemical Components in the PDB

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18N : Summary

Code

18N

One-letter code

X

Molecule name

1H-benzo[de]isoquinoline-1,3(2H)-dione

Synonyms

1,8-NAPHTHALIMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-benzo[de]isoquinoline-1,3(2H)-dione

Formula

C12 H7 N O2

Formal charge

0

Molecular weight

197.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1c3c(ccc1)cccc3C(=O)N2
SMILES CACTVS 3.341 O=C1NC(=O)c2cccc3cccc1c23
SMILES OpenEye OEToolkits 1.5.0 c1cc2cccc3c2c(c1)C(=O)NC3=O
Canonical SMILES CACTVS 3.341 O=C1NC(=O)c2cccc3cccc1c23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2cccc3c2c(c1)C(=O)NC3=O

IUPAC InChI

InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)

IUPAC InChI key

XJHABGPPCLHLLV-UHFFFAOYSA-N
18N

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-10-28

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned