Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC2=CC=CC=C2OC1=O)[N+]([O-])=O
InChIKey
InChIKey=CLWRLNBZSRXNFJ-UHFFFAOYSA-N
Formula
C23H15ClN2O5
Mass
434.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Benzanilides Coumarins and derivatives 1-benzopyrans Nitrobenzenes Nitrotoluenes p-Toluamides Benzamides Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Benzamide - P-toluamide - Toluamide - Benzoic acid or derivatives - Nitrotoluene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyranone - Toluene - Monocyclic benzene moiety - Aryl halide - Pyran - Benzenoid - Aryl chloride - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactone - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available