Compound Identification
SMILES
CCOC(=O)CC1=CN2C(S1)=NC(=C2C=O)C1=CC2=C(OCCO2)C=C1Br
InChIKey
InChIKey=URSBNOSBBIYITQ-UHFFFAOYSA-N
Formula
C18H15BrN2O5S
Mass
451.29
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Alkyl aryl ethers Aryl-aldehydes Carbonylimidazoles Para dioxins Aryl bromides Benzenoids N-substituted imidazoles Thiazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Alkyl aryl ether - Imidazole-4-carbonyl group - Aryl-aldehyde - Aryl bromide - Aryl halide - N-substituted imidazole - Para-dioxin - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Ether - Azacycle - Aldehyde - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available