Compound Identification
SMILES
CC1=CN=C(NC(=S)NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=AVQXJEWCKYEICA-UHFFFAOYSA-N
Formula
C14H12N4O3S
Mass
316.34
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 Benzoyl derivatives Nitroaromatic compounds Methylpyridines Imidolactams Heteroaromatic compounds Thioureas Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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