Compound Identification
SMILES
COC1=C(C2=C(C=C1)C(C(=O)N(CC(O)=O)C(=O)OCC(C)(C)C)=C(Br)C=C2)C(F)(F)F
InChIKey
InChIKey=HPCJRAQIZWLYIH-UHFFFAOYSA-N
Formula
C21H21BrF3NO6
Mass
520.299
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxamides
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Subclass
Naphthalenecarboxylic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxamides
Alternative Parents
N-acyl-alpha amino acids 2-halobenzoic acids and derivatives Anisoles Alkyl aryl ethers Aryl bromides Vinylogous halides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Carbamic acid ester - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
External Descriptors
Not available