Compound Identification
SMILES
COC(=O)[C@]12CCCN1[C@@H](C1=CC=C(C=C1)[N+]([O-])=O)[C@](C)([C@@H]2C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=PJAAFYLUFFVFSA-BLKABHOGSA-N
Formula
C22H23N3O6
Mass
425.441
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Phenylpyrrolidines Nitrobenzenes Pyrrolizidines Pyrrolidine carboxylic acids Nitroaromatic compounds Aralkylamines N-alkylpyrrolidines Pyrroles Methyl esters Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Organopnictogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 2-phenylpyrrolidine - 3-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Pyrrolizidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - N-alkylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic nitro compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic cation - 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