Compound Identification
SMILES
O[C@@H]1CN=CNC2=C1N=CN2CCC1=C2CCCCC2=C(Br)C(=C1)C(O)=O
InChIKey
InChIKey=YPFKFJNLCPXDDR-OAHLLOKOSA-N
Formula
C19H21BrN4O3
Mass
433.306
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
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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 2-halobenzoic acids Halobenzoic acids Imidazodiazepines 1-carboxy-2-haloaromatic compounds 1,3-diazepines Aryl bromides N-substituted imidazoles Vinylogous halides Heteroaromatic compounds Secondary alcohols Formamidines Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organobromides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Tetralin - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Imidazodiazepine - Imidazo-meta-diazepine - 1-carboxy-2-haloaromatic compound - Meta-diazepine - N-substituted imidazole - Aryl halide - Aryl bromide - Vinylogous halide - Imidazole - Heteroaromatic compound - Azole - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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