Compound Identification
SMILES
NCC(=O)OCCN1N=C(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)=C(C#N)C1=O
InChIKey
InChIKey=LPNBODYVKZXRID-UHFFFAOYSA-N
Formula
C21H16Cl2N4O3
Mass
443.28
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Phenylpyridazines Pyridazinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylpyridazine - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridazine - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Primary aliphatic amine - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available