Compound Identification
SMILES
COC(=O)C12C3CC(C4=CC=CC=C34)C1(C#N)C1(C#N)C3CC(C4=CC=CC=C34)C21C(=O)OC
InChIKey
InChIKey=WKJZZYUTZVSBKK-UHFFFAOYSA-N
Formula
C28H22N2O4
Mass
450.494
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 Indanes Dicarboxylic acids and derivatives Methyl esters Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Tetralin - Indane - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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