Compound Identification
SMILES
CCOC(=O)C1=CC(CCN2C=NC3=C2NC=NCC3O)=C2C=C(Br)C=CC2=C1
InChIKey
InChIKey=LROMFLPKEXQPSI-UHFFFAOYSA-N
Formula
C21H21BrN4O3
Mass
457.328
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
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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
Imidazodiazepines 1,3-diazepines N-substituted imidazoles Aryl bromides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Formamidines Carboxamidines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Imidazo-meta-diazepine - Imidazodiazepine - Meta-diazepine - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Azacycle - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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