Compound Identification
SMILES
[O-][N+](=O)C1=C(Br)C=CC(C=C2N=C(OC2=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=HIBVFZQEWDNZFV-UHFFFAOYSA-N
Formula
C17H9BrN2O6
Mass
417.171
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Nitrobenzenes Nitroaromatic compounds 4-Hydrocarbylideneazlactones Bromobenzenes Aryl bromides Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzodioxole - Nitrobenzene - Nitroaromatic compound - 4-hydrocarbylideneazlactone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazoline - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Acetal - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - 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