Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)SC(C(=O)N(CC)CC)=C1C
InChIKey
InChIKey=OUZYCUYJEOXXHZ-UHFFFAOYSA-N
Formula
C21H25N3O6S
Mass
447.51
Taxonomic Classification
Taxonomy Tree
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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 Thiophene carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Toluamide - O-toluamide - Benzoic acid or derivatives - Benzamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Benzoyl - Nitroaromatic compound - 2-heteroaryl carboxamide - Toluene - Heteroaromatic compound - Thiophene - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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