Compound Identification
SMILES
CC1=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(CSC2=CC=C(C=C2)[N+]([O-])=O)O1
InChIKey
InChIKey=GWUUNQGSWFAZLX-UHFFFAOYSA-N
Formula
C23H21N3O6S2
Mass
499.56
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
Thiophenol ethers 2,4,5-trisubstituted oxazoles Phenoxy compounds Phenol ethers Nitroaromatic compounds Thiazolidinediones Alkyl aryl ethers Alkylarylthioethers Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Organic oxoazanium compounds Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Alkylarylthioether - Oxazole - Azole - Thiazolidine - Dicarboximide - Heteroaromatic compound - Organic nitro compound - Thiocarbamic acid derivative - C-nitro compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic zwitterion - Carbonyl group - 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