Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(C=C1)C(=O)NC1CCCCNC1=O
InChIKey
InChIKey=WMBYNRKDLOXIEU-UHFFFAOYSA-N
Formula
C13H14ClN3O4
Mass
311.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Nitrobenzenes Benzoyl derivatives Caprolactams Nitroaromatic compounds Chlorobenzenes Azepanes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - Caprolactam - Chlorobenzene - Azepane - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous halide - Lactam - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - 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 n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available