Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)N2C)SC2=C1CCCC2
InChIKey
InChIKey=SXKPMGWLNZYXHV-UHFFFAOYSA-N
Formula
C25H28N6O6S2
Mass
572.66
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
p-Toluamides Benzamides Nitrotoluenes Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Toluene - Alkylarylthioether - Heteroaromatic compound - Thiophene - 1,2,4-triazole - Azole - Vinylogous amide - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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