Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(COC2=C(C=C(Br)C=C2)C(=S)N2CCCCC2)=C1
InChIKey
InChIKey=SVNQAQAHXRRZDB-UHFFFAOYSA-N
Formula
C19H19BrN2O3S
Mass
435.34
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Piperidines Aryl bromides Thioamides Thiocarboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperidine - Thioamide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thiocarboxylic acid amide - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Thiocarbonyl group - Hydrocarbon derivative - 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