Compound Identification
SMILES
COC1=C(\C=N\NC2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C=C1
InChIKey
InChIKey=XCAAAQPFPHICAK-CXUHLZMHSA-N
Formula
C14H12BrN3O3
Mass
350.172
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
Phenylhydrazines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Phenylhydrazine - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrazone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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