Chemical Components in the PDB

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NFZ : Summary

Code

NFZ

One-letter code

X

Molecule name

NITROFURAZONE

Synonyms

5-NITRO-2-FURALDEHYDE SEMICARBAZONE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-nitrofuran-2-carbaldehyde semicarbazone
OpenEye OEToolkits 1.5.0 [(5-nitrofuran-2-yl)methylideneamino]urea

Formula

C6 H6 N4 O4

Formal charge

0

Molecular weight

198.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=[N+]([O-])c1oc(/C=N/NC(=O)N)cc1
SMILES CACTVS 3.341 NC(=O)NN=Cc1oc(cc1)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(oc1C=NNC(=O)N)[N+](=O)[O-]
Canonical SMILES CACTVS 3.341 NC(=O)N\N=C\c1oc(cc1)[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]

IUPAC InChI

InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+

IUPAC InChI key

IAIWVQXQOWNYOU-FPYGCLRLSA-N
NFZ

wwPDB Information

Atom count

20 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-01-27

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned