Compound Identification
SMILES
CCOC(=O)C(=N\NC1=CC=CC=C1[N+]([O-])=O)\C(=O)CSC1=CC=C(Br)C=C1
InChIKey
InChIKey=IXNNXXLOVHSXIA-HEHNFIMWSA-N
Formula
C18H16BrN3O5S
Mass
466.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Thiophenol ethers Nitroaromatic compounds Phenylhydrazines Alkylarylthioethers Beta-keto acids and derivatives Bromobenzenes Fatty acid esters Aryl bromides Ketones Carboxylic acid esters Organic oxoazanium compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylhydrazine - Thiophenol ether - Beta-keto acid - Bromobenzene - Alkylarylthioether - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Keto acid - C-nitro compound - Ketone - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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