Compound Identification
SMILES
CCOC1=CC=C(C=C1)N=C1S\C(=C\C2=CC(Br)=CC(=C2[O-])[N+]([O-])=O)C([O-])=N1
InChIKey
InChIKey=IAPJUOAEHMWPMR-OVCLIPMQSA-L
Formula
C18H12BrN3O5S
Mass
462.28
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 Phenoxides Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolines Azacyclic compounds Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenoxide - Aryl bromide - Aryl halide - Meta-thiazoline - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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