Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1CN1C(=O)SC(=CC2=CC=C(O2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=USBPPFFBLYXOEG-UHFFFAOYSA-N
Formula
C21H12ClN3O7S
Mass
485.85
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
Nitroaromatic compounds Thiazolidinediones Chlorobenzenes Aryl chlorides Dicarboximides Furans Heteroaromatic compounds Thiocarbamic acid derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Thiazolidinedione - Aryl chloride - Aryl halide - Dicarboximide - Furan - Heteroaromatic compound - Thiazolidine - Thiocarbamic acid derivative - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - 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