Compound Identification
SMILES
CC(=O)NC1[C@H](O)C(C)(C)OC2=CC(=C(Br)C=C12)[N+]([O-])=O
InChIKey
InChIKey=GQDWEFMJZSLHJP-KIYNQFGBSA-N
Formula
C13H15BrN2O5
Mass
359.176
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Nitroaromatic compounds Alkyl aryl ethers Aryl bromides Benzenoids Acetamides Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Acetamide - Carboxamide group - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Organic nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxide - Organobromide - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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