Compound Identification
SMILES
CCN(CC)C1=CC(OCC(=O)NC2=CC(=CC=C2)[N+]([O-])=O)=C(C=C2SC(=S)N(C2=O)C2=CC=CC=C2C)C=C1
InChIKey
InChIKey=WZVSXJJGVKPAKV-UHFFFAOYSA-N
Formula
C29H28N4O5S2
Mass
576.69
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aminophenyl ethers Anilides Phenoxy compounds Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds N-arylamides Toluenes Alkyl aryl ethers Thiazolidinethiones Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organosulfur compounds Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aminophenyl ether - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Thiazolidinethione - Thiazolidine - Organic nitro compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - 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