Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NC(=CC1=CC=CO1)C(=O)NCCC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=ZBRCVNVISCXZOZ-UHFFFAOYSA-N
Formula
C23H19BrN4O3
Mass
479.334
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
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives Benzimidazoles Benzoyl derivatives Bromobenzenes Aryl bromides Furans Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzimidazole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Furan - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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