Compound Identification
SMILES
CC1=C(C=C(C=C1)C1=N\C(=C/C2=CC3=C(OCO3)C=C2Cl)C(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=CEYUDAIGIAFLLM-PQMHYQBVSA-N
Formula
C18H11ClN2O6
Mass
386.74
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
-
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
Benzodioxoles Nitrotoluenes Nitrobenzenes Nitroaromatic compounds 4-Hydrocarbylideneazlactones Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - 4-hydrocarbylideneazlactone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazoline - C-nitro compound - Organic nitro compound - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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