Compound Identification
SMILES
CCOC1(OCC)OC2=C(Cl)C=C3C(ON=C3C3=CC=CC=C3)=C2CC1Br
InChIKey
InChIKey=YTBKTFWTPFAFTP-UHFFFAOYSA-N
Formula
C20H19BrClNO4
Mass
452.73
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
Benzisoxazoles Ortho esters Carboxylic acid orthoesters Benzene and substituted derivatives Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Benzisoxazole - Carboxylic acid orthoester - Ortho ester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Orthocarboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Alkyl halide - Organonitrogen compound - Alkyl bromide - Organooxygen compound - 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