Compound Identification
SMILES
CC\C=C(\CC1=C(C=C(NC2=CC=CC=C2C(O)=O)C(C)=C1C(F)(F)F)[N+]([O-])=O)C(O)O
InChIKey
InChIKey=GVRRQLUKNZJPJW-SDQBBNPISA-N
Formula
C21H21F3N2O6
Mass
454.402
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
Trifluoromethylbenzenes Benzoic acids Nitrobenzenes Nitrotoluenes Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Primary aromatic amines Vinylogous amides Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Carboxylic acids Carbonyl hydrates Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid - Trifluoromethylbenzene - Benzoic acid - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aminotoluene - Aniline or substituted anilines - Toluene - Primary aromatic amine - Vinylogous amide - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Carbonyl hydrate - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available