Compound Identification
SMILES
CC(=NNC(=O)C1=C(C)OC=C1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=GJXUPKPLMKKADW-UHFFFAOYSA-N
Formula
C14H13BrN2O2
Mass
321.174
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furans
- Subclass Furoic acid and derivatives
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Class
Furans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furan-3-carboxylic acid and derivatives
Alternative Parents
Bromobenzenes Aryl bromides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furan-3-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furan-3-carboxylic acid and derivatives. These are aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof at the ring 3-position.
External Descriptors
Not available