Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C(NC(=O)C2=CC=CC=C2Cl)C(=O)NNC=C2C=CC=C(C2=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YOFTTWFAVNKPAI-UHFFFAOYSA-N
Formula
C27H26ClN5O5
Mass
535.99
Taxonomic Classification
Taxonomy Tree
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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
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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
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 Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines O-quinomethanes Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Secondary carboxylic acid amides C-nitro compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - O-quinomethane - Quinomethane - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Vinylogous amide - Ketone - Cyclic ketone - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid hydrazide - Carboxamide group - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen 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