Compound Identification
SMILES
CC(=O)N[C@H](CC(=O)NC1=CC(=CC=C1)[N+]([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BUUADLIYCQGFCK-MRXNPFEDSA-N
Formula
C17H16ClN3O4
Mass
361.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Chlorobenzenes Fatty amides Aryl chlorides Acetamides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Acetamide - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available