Compound Identification
SMILES
CC(NC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O)C(=O)NC1=NN=C(S1)C1=CC=CC=C1
InChIKey
InChIKey=SKUUDXQPLDWYGY-UHFFFAOYSA-N
Formula
C18H14ClN5O4S
Mass
431.85
Taxonomic Classification
Taxonomy Tree
-
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
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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 Alpha amino acid amides Alanine and derivatives 2-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Thiadiazole - Heteroaromatic compound - Vinylogous halide - Azole - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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