Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC(=O)CSC2=NN=C(O2)C2=C(Cl)C3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=BQXUDOLCHJOHHQ-UHFFFAOYSA-N
Formula
C18H11ClN4O4S2
Mass
446.88
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
1-benzothiophenes Anilides Nitroaromatic compounds N-arylamides Alkylarylthioethers Aryl chlorides Thiophenes 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Benzothiophene - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Alkylarylthioether - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Thiophene - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organic salt - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - 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