Compound Identification
SMILES
C[N+]1=CC=CC(=C1)C(N)=O.[O-]C(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=SAIVODHCZWUOJY-UHFFFAOYSA-N
Formula
C21H18F3N3O3
Mass
417.388
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
Subclass
Benzoic acids and derivatives
-
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 Nicotinamides Aniline and substituted anilines Benzoyl derivatives N-methylpyridinium compounds Primary aromatic amines Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Carboxylic acid salts Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organofluorides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Aminobenzoic acid - Trifluoromethylbenzene - Pyridine carboxylic acid or derivatives - Benzoic acid - Nicotinamide - Benzoyl - Aniline or substituted anilines - N-methylpyridinium - Pyridine - Pyridinium - Primary aromatic amine - Vinylogous amide - Heteroaromatic compound - Amino acid - Primary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Organic zwitterion - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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