Compound Identification
SMILES
COC1=C(CNC2=CC3=C(OCO3)C=C2)C=C(Br)C=C1
InChIKey
InChIKey=QLIQVFCMYSQULF-UHFFFAOYSA-N
Formula
C15H14BrNO3
Mass
336.185
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Bromobenzenes Aralkylamines Alkyl aryl ethers Aryl bromides Oxacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Bromobenzene - Aralkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Acetal - Secondary amine - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available