Compound Identification
SMILES
CC1=CC=C(NC(=O)CC2SC(=NN=CC3=CC(=CC=C3)[N+]([O-])=O)N(C2=O)C2=CC=C(O)C=C2)C=C1
InChIKey
InChIKey=GKAVZOGIRGJCIR-UHFFFAOYSA-N
Formula
C25H21N5O5S
Mass
503.53
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
Anilides Nitroaromatic compounds N-arylamides Toluenes 1-hydroxy-2-unsubstituted benzenoids Thiazolidines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anilide - Nitrobenzene - N-arylamide - Nitroaromatic compound - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Thiazolidine - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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