Compound Identification
SMILES
OC(=O)C1=CC(Br)=C(Cl)C=C1N\C=C1\N=C(OC1=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=UPPMSKIQGMHUSB-VGOFMYFVSA-N
Formula
C18H9BrClF3N2O4
Mass
489.63
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 3-halobenzoic acids 4-halobenzoic acids Alpha amino acids and derivatives Halobenzoic acids Benzoic acids Aniline and substituted anilines Benzoyl derivatives 4-Hydrocarbylideneazlactones Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Carboxylic acids Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organochlorides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Aminobenzoic acid - Trifluoromethylbenzene - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Aniline or substituted anilines - Benzoyl - Halobenzene - 4-hydrocarbylideneazlactone - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Oxazoline - Vinylogous amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Enamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen 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