Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)N1CN=C2S\C(=C/C3=CC(=CC=C3)[N+]([O-])=O)C(=O)N2C1
InChIKey
InChIKey=HQZSDIIRSICIPK-SXGWCWSVSA-N
Formula
C18H13N5O5S
Mass
411.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds 1,3,5-triazines Thiazoles Heteroaromatic compounds Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organooxygen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - 1,3,5-triazine - Triazine - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available