Compound Identification
SMILES
NC1=C(C(=O)CN1NC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=NC(=CS1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VJJZAQVDDNUMBE-UHFFFAOYSA-N
Formula
C20H14ClN5O4S
Mass
455.87
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
Benzoic acids and derivatives Nitroaromatic compounds Benzoyl derivatives 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Vinylogous amides Pyrrolines Heteroaromatic compounds Ketene acetals Cyclic ketones Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Amines Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous amide - Pyrroline - Thiazole - Organic nitro compound - Carboxylic acid hydrazide - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic zwitterion - Organic salt - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - 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