Compound Identification
SMILES
BrC1=CC=C(C=C1)[C@]1(CN2C=NC=N2)OC[C@@H](COC(=O)C2=CC=CC=C2)O1
InChIKey
InChIKey=HXYDXVUJYWYFGD-UYAOXDASSA-N
Formula
C20H18BrN3O4
Mass
444.285
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Ketals Aryl bromides Heteroaromatic compounds 1,3-dioxolanes Triazoles Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Ketal - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Meta-dioxolane - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen 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