Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC2=CC=CC=C2C2=CSC(NC3=CC=CC=C3Br)=N2)C=C1
InChIKey
InChIKey=IMCIQTNLOWUWHK-UHFFFAOYSA-N
Formula
C22H16BrN3O3S
Mass
482.35
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
Phenoxy compounds Phenol ethers Aniline and substituted anilines Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes 2-amino-1,3-thiazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - 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