Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=O)C2=C(O)C3=C(OCO3)C=C2)C(Br)=C1
InChIKey
InChIKey=DGRHIWWTLKJMDH-UHFFFAOYSA-N
Formula
C18H18BrNO6
Mass
424.247
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
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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
Hydroxybenzoic acid derivatives
Direct Parent
Salicylic acid and derivatives
Alternative Parents
Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous acids Secondary carboxylic acid amides Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Salicylic acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Acetal - Oxacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.
External Descriptors
Not available