Compound Identification
SMILES
NC1=CC=C(Br)C=C1.OC(=O)C1=CC=C(OCCCCCOC(=O)C=C)C=C1
InChIKey
InChIKey=JWHJCKHXAFYRLG-UHFFFAOYSA-N
Formula
C21H24BrNO5
Mass
450.329
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
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 acids
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Acrylic acid esters Aryl bromides Enoate esters Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Not available
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Acrylic acid ester - Aryl halide - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Primary amine - Organohalogen compound - Organobromide - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available