Compound Identification
SMILES
CCOC(=O)C(NNC1=C(Cl)C=CC(=C1)C(F)(F)F)=[N+](C)CC1=CC=CC=C1
InChIKey
InChIKey=MBMLVNJGORRYRM-UHFFFAOYSA-O
Formula
C19H20ClF3N3O2
Mass
414.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Alpha-imino acid and derivatives
- Level 5 Alpha-imino acid esters
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Subclass
Alpha-imino acid and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-imino acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-imino acid esters
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids and derivatives Phenylhydrazines Chlorobenzenes Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-imino acid ester - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-imino acid esters. These are ester derivatives of alpha-imino acids. They have the general structure RN=CC(=O)OR', where R = H, organyl group and R' = organyl group.
External Descriptors
Not available