Compound Identification
SMILES
CC(C)C(NC(=O)C1=C(Cl)C=C(Cl)C=C1)C(=O)NN=CC1=CC=C(O1)C1=C(C=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VRVSJDOBGNJSOR-UHFFFAOYSA-N
Formula
C23H19Cl3N4O5
Mass
537.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Valine and derivatives N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Vinylogous halides Furans Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organohalogen compound - Carbonyl group - Organochloride - 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