Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NCC(=O)OCN1C(=O)C2=CC=CC=C2C1=O
InChIKey
InChIKey=OQGLNUWNQKSCBA-UHFFFAOYSA-N
Formula
C18H13BrN2O5
Mass
417.215
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phthalimides 3-halobenzoic acids and derivatives Isoindoles Benzoyl derivatives Bromobenzenes Aryl bromides N-substituted carboxylic acid imides Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available