Compound Identification
SMILES
COC1=CC(Br)=C2O[C@H](CCC2=C1CC(C)N)C(=O)OC1CC1
InChIKey
InChIKey=JDBMXBPPBJVBCT-IWSPRGBSSA-N
Formula
C17H22BrNO4
Mass
384.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Anisoles Aralkylamines Alkyl aryl ethers Aryl bromides Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Primary amine - Organohalogen compound - Primary aliphatic amine - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available