Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)[C@H](NC2=C(Br)C(=O)CC2)[C@H]1O
InChIKey
InChIKey=PSSCYMQXPDCWDR-JKSUJKDBSA-N
Formula
C17H17BrN2O3
Mass
377.238
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
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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 Aralkylamines Benzenoids Vinylogous amides Alpha-haloketones 1,2-aminoalcohols Secondary alcohols Cyclic ketones Vinyl bromides Oxacyclic compounds Nitriles Enamines Dialkylamines Bromoalkenes Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Aralkylamine - Benzenoid - Alpha-haloketone - Vinylogous amide - 1,2-aminoalcohol - Ketone - Secondary alcohol - Cyclic ketone - Secondary aliphatic amine - Enamine - Ether - Carbonitrile - Nitrile - Vinyl bromide - Vinyl halide - Oxacycle - Bromoalkene - Haloalkene - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Cyanide - 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