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-O
Formula
C21H18N3O3S
Mass
392.45
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 Methylpyridines 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 - Benzoyl - Aryl ketone - Nitroaromatic compound - Methylpyridine - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Organic nitro compound - Ketone - C-nitro compound - Organoheterocyclic compound - Azacycle - Alkylthiol - Organic oxoazanium - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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