Compound Identification
SMILES
COC1=CC=C(CCN[C@@H]2[C@@H](O)C(C)(C)OC3=CC(=C(NC(C)=O)C=C23)[N+]([O-])=O)C=C1
InChIKey
InChIKey=WZOMMAWHOSUUAP-LEWJYISDSA-N
Formula
C22H27N3O6
Mass
429.473
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 Anisoles Methoxybenzenes Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Acetamides Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - N-acetylarylamine - Phenethylamine - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - 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 - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Secondary aliphatic amine - Ether - Alcohol - Amine - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Organooxygen compound - 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