Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=NN2C(S1)=NN=C2C1=C(C=C(NC(=O)CCl)S1)C1=CC=CC=C1
InChIKey
InChIKey=LBPVERPKZZCMIU-UHFFFAOYSA-N
Formula
C21H13ClN6O3S2
Mass
496.94
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
2,3,5-trisubstituted thiophenes Nitroaromatic compounds N-arylamides Triazoles Thiadiazoles Chloroacetamides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Alkyl chlorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,3,5-trisubstituted thiophene - Azole - Thiadiazole - Thiophene - 1,2,4-triazole - Chloroacetamide - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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