Chemical Components in the PDB

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VYZ : Summary

Code

VYZ

One-letter code

X

Molecule name

N-(4-nitrophenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-nitrophenyl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-(4-nitrophenyl)ethanamide

Formula

C8 H8 N2 O3

Formal charge

0

Molecular weight

180.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C)Nc1ccc(cc1)N(=O)=O
SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)[N](=O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)N(=O)=O
Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)[N](=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)N(=O)=O

IUPAC InChI

InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)

IUPAC InChI key

NQRLPDFELNCFHW-UHFFFAOYSA-N
VYZ

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned