Compound Identification
SMILES
COC1=C(Br)C=C(C=NNC(=O)C(NC(=O)C2=CC=CC=C2Cl)=CC2=CC=C(C=C2)N(C)C)C=C1Br
InChIKey
InChIKey=SSHKZMIMPSNHQA-UHFFFAOYSA-N
Formula
C26H23Br2ClN4O3
Mass
634.75
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
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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 Cinnamic acids and derivatives 2-halobenzoic acids and derivatives Phenoxy compounds Aniline and substituted anilines Anisoles Benzoyl derivatives Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Organic oxides Organobromides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Organobromide - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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