Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=NC(=CC2=CC3=C(OCO3)C=C2[N+]([O-])=O)C(=O)O1
InChIKey
InChIKey=XJQGFGORGMLXMG-UHFFFAOYSA-N
Formula
C20H16N2O9
Mass
428.353
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
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzodioxoles Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers 4-Hydrocarbylideneazlactones Organic oxoazanium compounds Monocarboxylic acids and derivatives Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 4-hydrocarbylideneazlactone - Monocyclic benzene moiety - Benzenoid - Oxazoline - C-nitro compound - Organic nitro compound - Acetal - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available