Compound Identification
SMILES
CC1=CC2=C(OC3=C(C(N(CCCO)C3=O)C3=CC(=CC=C3)[N+]([O-])=O)C2=O)C=C1
InChIKey
InChIKey=DMISVWJYILQPDD-UHFFFAOYSA-N
Formula
C21H18N2O6
Mass
394.383
Taxonomic Classification
Taxonomy Tree
-
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 Chromones
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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
Chromones
Alternative Parents
Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds Pyranones and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Alkanolamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Alkanolamine - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors
Not available