Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=C2SC(=O)N(CC3=CC(=CC=C3)[N+]([O-])=O)C2=O)=C1
InChIKey
InChIKey=DJPFYMWLEFEKEF-UHFFFAOYSA-N
Formula
C25H20N2O9S
Mass
524.5
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
Furoic acids Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Furoic acid - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Furan - Heteroaromatic compound - Thiazolidine - C-nitro compound - Organic nitro compound - Thiocarbamic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic oxoazanium - Oxacycle - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic cation - 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