Compound Identification
SMILES
C[C@H](SC1=NN=C(CNC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)O1)C1=CC=CC=C1
InChIKey
InChIKey=VUOJBXSCQVCSBF-ZDUSSCGKSA-N
Formula
C19H18N4O4S
Mass
398.44
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
o-Toluamides Benzamides Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Toluamide - O-toluamide - Benzamide - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Toluene - Oxadiazole - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - 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