Compound Identification
SMILES
CCOC(=O)CN1N=C(C2=CC=CC=C2)C(C(C)=O)=C(C1=O)[N+]([O-])=O
InChIKey
InChIKey=GKHXEJVUURXACH-UHFFFAOYSA-N
Formula
C16H15N3O6
Mass
345.311
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Phenylpyridazines Aryl alkyl ketones Nitroaromatic compounds Pyridazinones Benzene and substituted derivatives Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylpyridazine - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactam - Organic nitro compound - C-nitro compound - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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