Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)C=NNC(=O)CNC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=WFROADSUSOPYLL-UHFFFAOYSA-N
Formula
C14H11BrN4O4S
Mass
411.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives 2-nitrothiophenes Benzoyl derivatives Nitroaromatic compounds 2,5-disubstituted thiophenes Bromobenzenes Aryl bromides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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