Compound Identification
SMILES
COC(=O)C1([NH3+])CCC2=C(C1)C=CC(Br)=C2
InChIKey
InChIKey=QHOPTKOHLMQTAQ-UHFFFAOYSA-O
Formula
C12H15BrNO2
Mass
285.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 Naphthalenecarboxylic acids
-
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
Tetralins Alpha amino acids and derivatives Aralkylamines Aryl bromides Quaternary ammonium salts Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Alpha-amino acid or derivatives - Tetralin - Aralkylamine - Aryl bromide - Aryl halide - Methyl ester - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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