Compound Identification
SMILES
COC1=C(OC)C=C(C=C2NC(=NC2=O)C2=C(Cl)C=CC(I)=C2)C=C1
InChIKey
InChIKey=PFGQJXHCKYMDNR-UHFFFAOYSA-N
Formula
C18H14ClIN2O3
Mass
468.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- 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
Alpha amino acids and derivatives
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Iodobenzenes Chlorobenzenes Aryl chlorides Aryl iodides Imidazolinones N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Iodobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Imidazolinone - Monocyclic benzene moiety - Aryl iodide - Benzenoid - Aryl halide - 2-imidazoline - N-acylimine - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Organic 1,3-dipolar compound - Enamine - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organoiodide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available