Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=C(C=C1)C1=CC=C(O1)C=C1SC(NC2=CC=CC=C2)=NC1=O
InChIKey
InChIKey=KMVLDKQZXPNHKT-UHFFFAOYSA-N
Formula
C20H12ClN3O4S
Mass
425.84
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
Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Thiazolines Furans Heteroaromatic compounds Isothioureas N-acylimines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Carbonyl group - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - 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