Compound Identification
SMILES
COCCN1C(C)=CC(C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O)=C1C
InChIKey
InChIKey=PFTRWJGZYSLISH-UHFFFAOYSA-N
Formula
C21H21N3O8
Mass
443.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
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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
Indolyl carboxylic acids and derivatives Phthalimides Indoles Isoindoles Aryl alkyl ketones Nitroaromatic compounds Alpha-acyloxy ketones Substituted pyrroles Benzenoids N-substituted carboxylic acid imides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Phthalimide - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Carboxylic acid imide, n-substituted - Substituted pyrrole - Benzenoid - Vinylogous amide - Carboxylic acid imide - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic 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