Compound Identification
SMILES
OC1=CC(=CC(CC([O-])=O)=C2NC3=CC=CC=C3O2)C=C(Cl)C1=O
InChIKey
InChIKey=XQZRTEBFPOTKES-UHFFFAOYSA-M
Formula
C17H11ClNO5
Mass
344.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
P-quinomethanes Benzenoids Alpha-chloroketones Ketene acetals Carboxylic acid salts Vinyl chlorides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Enols Chloroalkenes Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides Amines Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - P-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Carboxylic acid salt - Ketene acetal or derivatives - Ketone - Cyclic ketone - Oxacycle - Azacycle - Chloroalkene - Vinyl halide - Vinyl chloride - Haloalkene - Carboxylic acid derivative - Carboxylic acid - Enol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available