Compound Identification
SMILES
COC(=O)C1=C(\N=C\N(C)C)C2=CC=CC=C2C(CC2=CN=C(Cl)C=C2)=C1
InChIKey
InChIKey=KBMWZNMXRVDPSK-ZMOGYAJESA-N
Formula
C21H20ClN3O2
Mass
381.86
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
2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Formamidines Carboxamidines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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