Compound Identification
SMILES
COC1=C(OCC2=C(Cl)C=C(Cl)C=C2)C(Br)=CC(\C=C2/SC(=O)N(CC3=CC=CC=C3[N+]([O-])=O)C2=O)=C1
InChIKey
InChIKey=TWYKXYROSADKOE-YVNNLAQVSA-N
Formula
C25H17BrCl2N2O6S
Mass
624.28
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
Anisoles Dichlorobenzenes Methoxybenzenes Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Thiazolidinediones Aryl bromides Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Thiazolidinedione - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - 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