Compound Identification
SMILES
CC1=CC=C(C=C2SC(=O)N(CCNC(=O)C3=CC=CC=C3[N+]([O-])=O)C2=O)C=C1
InChIKey
InChIKey=OXMCKGJCMYJJAC-UHFFFAOYSA-N
Formula
C20H17N3O5S
Mass
411.43
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
Benzamides Benzoyl derivatives Nitroaromatic compounds Toluenes Thiazolidinediones Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiazolidinedione - Toluene - Dicarboximide - Thiazolidine - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - 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