Chemical Components in the PDB

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ONQ : Summary

Code

ONQ

One-letter code

X

Molecule name

~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

Formula

C10 H12 N2 O3

Formal charge

0

Molecular weight

208.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)NCC(N)=O
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)NCC(=O)N
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)NCC(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)NCC(=O)N

IUPAC InChI

InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)

IUPAC InChI key

ZKADLOGPYJUFCB-UHFFFAOYSA-N
ONQ

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-23

Last modified at

2020-05-01

Status

Released

Obsoleted

Not Assigned