Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)N1N=C(\C(=N\NC2=CC=C(Br)C=C2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=VTWMEEBYVLGNKS-GFMRDNFCSA-N
Formula
C21H14BrN5O3
Mass
464.279
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 Nitroaromatic compounds Bromobenzenes Pyrazolones Aryl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrazones Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrazolinone - Pyrazoline - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - 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