Compound Identification
SMILES
NC(N)=NCCC[C@H](N[N+]([O-])=O)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AECPISZTSLAIDX-JTQLQIEISA-N
Formula
C12H16N6O6
Mass
340.296
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenol esters Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Nitramines Carboxylic acid esters Guanidines Monocarboxylic acids and derivatives Carboximidamides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Nitramine - Carboxylic acid ester - Organic nitro compound - Guanidine - C-nitro compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic homomonocyclic 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