Compound Identification
SMILES
CC(=O)NC1=C(C=C2OC(C)(C)[C@H](O)[C@@H](NCCC3=CC=C(O)C=C3)C2=C1)[N+]([O-])=O
InChIKey
InChIKey=VSPUCOMJZVTSFJ-VQTJNVASSA-N
Formula
C21H25N3O6
Mass
415.446
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
N-acetylarylamines Phenethylamines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Acetamides Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Organic oxoazanium compounds Dialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - N-acetylarylamine - Phenethylamine - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Acetamide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxoazanium - Ether - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic salt - 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