Compound Identification
SMILES
CC1=CC2=C(OC(N2)=C2C=C(NC(=O)C3=CC=C(Br)O3)C=CC2=O)C=C1
InChIKey
InChIKey=MCTSIRWYCTXETH-UHFFFAOYSA-N
Formula
C19H13BrN2O4
Mass
413.227
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
2-heteroaryl carboxamides Furoic acid and derivatives O-quinomethanes Aryl bromides Benzenoids Heteroaromatic compounds Vinylogous amides Vinylogous esters Secondary carboxylic acid amides Ketene acetals Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - 2-heteroaryl carboxamide - Furoic acid or derivatives - O-quinomethane - Quinomethane - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Vinylogous ester - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aldehyde - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - 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