Compound Identification
SMILES
CC1=C(C=C(C=C1)C1=N\C(=C\C2=C(F)C=CC(Br)=C2)C(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=PEXQZPGZVIKPHN-VGOFMYFVSA-N
Formula
C17H10BrFN2O4
Mass
405.179
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Nitrotoluenes Nitrobenzenes Nitroaromatic compounds 4-Hydrocarbylideneazlactones Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organobromides Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Bromobenzene - Fluorobenzene - Halobenzene - Toluene - 4-hydrocarbylideneazlactone - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl bromide - Oxazoline - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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