Compound Identification
SMILES
[O-][N+](=O)C1=C(Br)C=CC(C=NNC(=O)CCNC(=O)C2=CC=CC=C2F)=C1
InChIKey
InChIKey=NTUFUMURISSEGX-UHFFFAOYSA-N
Formula
C17H14BrFN4O4
Mass
437.225
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
2-halobenzoic acids and derivatives Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoyl - Nitroaromatic compound - Fluorobenzene - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl bromide - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organofluoride - Organobromide - Organic oxide - Organohalogen 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