Compound Identification
SMILES
CC1=CC(CSC2=NCCN2C(=O)C2=CC(=CC=C2)[N+]([O-])=O)=C(C)C=C1
InChIKey
InChIKey=ZHNPIKHNIUYZDM-UHFFFAOYSA-N
Formula
C19H19N3O3S
Mass
369.44
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
Benzoic acids and derivatives p-Xylenes Benzoyl derivatives Nitroaromatic compounds Imidazolines Isothioureas Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Organooxygen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - P-xylene - Xylene - 2-imidazoline - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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