Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(=O)NCCC(=O)NNC=C1C=C(Br)C=CC1=O
InChIKey
InChIKey=BERGGXYFAKQTQN-UHFFFAOYSA-N
Formula
C17H14BrCl2N3O3
Mass
459.12
Taxonomic Classification
Taxonomy Tree
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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
-
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
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides O-quinomethanes Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Carboxylic acid hydrazides Vinyl bromides Bromoalkenes Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - O-quinomethane - 1,2-dichlorobenzene - Benzoyl - Quinomethane - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous amide - Cyclic ketone - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Ketone - Vinyl bromide - Vinyl halide - Haloalkene - Bromoalkene - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - 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