Compound Identification
SMILES
COC(=O)[C@H](C)N1N=NC2=C1C=C(OC1=C(F)C=C(C=C1Cl)C(F)(F)F)C=C2
InChIKey
InChIKey=BPJLCCHDWWLUIH-QMMMGPOBSA-N
Formula
C17H12ClF4N3O3
Mass
417.74
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
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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
Diarylethers Trifluoromethylbenzenes Benzotriazoles Phenoxy compounds Phenol ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Triazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Diaryl ether - Trifluoromethylbenzene - Benzotriazole - Phenoxy compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - 1,2,3-triazole - Triazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organochloride - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Aromatic heteropolycyclic 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