Compound Identification
SMILES
COC(=O)CNC1=CC(N2CCOCC2)=C(C2=NON=C12)[N+]([O-])=O
InChIKey
InChIKey=NBUSGSOXCABDFC-UHFFFAOYSA-N
Formula
C13H15N5O6
Mass
337.292
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
-
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
Benzoxadiazoles Dialkylarylamines Nitroaromatic compounds Secondary alkylarylamines Benzenoids Morpholines Furazans Heteroaromatic compounds Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzoxadiazole - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Azole - Furazan - Oxadiazole - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - 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 - Secondary amine - Carbonyl group - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic zwitterion - 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