Compound Identification
SMILES
CC1=C(NC(=O)C(CC(O)=O)NC(=O)C(F)(F)F)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HJJUORLLFVQCOS-UHFFFAOYSA-N
Formula
C13H12F3N3O6
Mass
363.249
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
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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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
Aspartic acid and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Nitrobenzenes Nitrotoluenes N-arylamides Nitroaromatic compounds Fatty amides Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organofluorides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - N-arylamide - Toluene - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organofluoride - Organic oxide - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available