Compound Identification
SMILES
OC(=O)C(F)(F)F.COC(=O)C1=CC2=C(C=C1)C=C(OC(=O)C1=CC=C(CN)C=C1)C=C2
InChIKey
InChIKey=BWAUVDPOMFCJHL-UHFFFAOYSA-N
Formula
C22H18F3NO6
Mass
449.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
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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
Naphthalenecarboxylic acids
Alternative Parents
Phenol esters Benzoic acid esters Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Alpha-halocarboxylic acids Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
2-naphthalenecarboxylic acid - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Methyl ester - Alpha-halocarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Primary amine - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available