Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=C(NC(=O)CSC2=NN=C(CNC3=CC(Cl)=CC=C3)O2)C=C1
InChIKey
InChIKey=XMLIZVAESLSXIL-UHFFFAOYSA-N
Formula
C17H13BrClN5O4S
Mass
498.74
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
Anilides Aniline and substituted anilines Phenylalkylamines N-arylamides Nitroaromatic compounds Alkylarylthioethers Secondary alkylarylamines Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organobromides Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aralkylamine - Aryl chloride - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - C-nitro compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organic oxoazanium - Azacycle - Organic salt - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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