Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)[C@H](OC2=CC(=O)CC2)[C@@]1(C)O
InChIKey
InChIKey=LUUDLWCEDURTDB-FUHWJXTLSA-N
Formula
C18H19NO4
Mass
313.353
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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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
2,2-dimethyl-1-benzopyrans
Alternative Parents
Alkyl aryl ethers Benzenoids Vinylogous esters Tertiary alcohols Cyclic ketones Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Vinylogous ester - Ketone - Cyclic ketone - Nitrile - Carbonitrile - Ether - Oxacycle - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available