Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=C2SC(=NC2=O)N2CCN(CC2)C2=NC(=O)C(S2)=CC2=CC(=CC=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=QLBQABXBCHLAEF-UHFFFAOYSA-N
Formula
C24H18N6O6S2
Mass
550.56
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
Nitroaromatic compounds Piperazines Thiazolines Isothioureas N-acylimines Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Amines Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 1,4-diazinane - Piperazine - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic 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