Compound Identification
SMILES
COC(=O)C1=CC=CC=C1C1=C(C(C2=CC(Br)=CC=C2)C(C#N)=C(N)O1)[N+]([O-])=O
InChIKey
InChIKey=CBDATKILVFMVJZ-UHFFFAOYSA-N
Formula
C20H14BrN3O5
Mass
456.252
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Bromobenzenes Pyrans Aryl bromides Methyl esters C-nitro compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyran - Methyl ester - Carboxylic acid ester - Organic nitro compound - Ketene acetal or derivatives - C-nitro compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available