Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)NCCC1=CSC(=N1)C1=CN=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YOOPLPZXVOTALA-UHFFFAOYSA-N
Formula
C18H16N4O3S
Mass
368.41
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
m-Toluamides Benzamides Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzamide - Benzoyl - Nitroaromatic compound - Toluene - 2,4-disubstituted 1,3-thiazole - Pyridine - Heteroaromatic compound - Thiazole - Azole - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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