Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)C(=C(S)NCC=C)[N+]1=CC=CC=C1
InChIKey
InChIKey=HIHLYOHDJQCISQ-UHFFFAOYSA-O
Formula
C17H16N3O3S
Mass
342.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Aryl ketones Benzoyl derivatives Nitroaromatic compounds Pyridinium derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Acryloyl compounds Enones Heteroaromatic compounds Alkylthiols Organic oxoazanium compounds Azacyclic compounds Organic salts Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Alkylthiol - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen 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