Compound Identification
SMILES
CC1=C[N+](=CC=C1)C(C(=S)NC1=CC=CC=C1)=C([O-])C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ANAAKCUQVOTASL-UHFFFAOYSA-N
Formula
C21H17N3O3S
Mass
391.45
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 Methylpyridines Pyridinium derivatives Heteroaromatic compounds Thioamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Thiocarboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Thiocarbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - Thioamide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Thiocarboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thiocarbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Organosulfur compound - 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