Compound Identification
SMILES
COC(=O)\C=C(/NC1=CC(=C(Cl)C=C1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=VZLWMHBOUYOKRI-TWGQIWQCSA-N
Formula
C12H11ClN2O6
Mass
314.68
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
Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Fatty acid esters Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Enamines Hydrocarbon derivatives Organic salts Organochlorides Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous amide - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enamine - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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