Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2[N+]([O-])=O)C=CC(\C=C2\SC(NC3=CC=CC=C3Cl)=NC2=O)=C1
InChIKey
InChIKey=PEFLACRRHIHKOW-LPYMAVHISA-N
Formula
C24H18ClN3O5S
Mass
495.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Phenoxy compounds Aniline and substituted anilines Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazolines Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Amines Organic salts Organochlorides Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Meta-thiazoline - Organic nitro compound - Isothiourea - C-nitro compound - N-acylimine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic zwitterion - 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