Compound Identification
SMILES
CO\N=C\C1=CC=C(\C=C(\N2C=NC=N2)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=KDXNAXSJOAKNMY-OCJVEPCKSA-N
Formula
C19H15N5O4
Mass
377.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Nitrobenzenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Heteroaromatic compounds Enones Triazoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - 1,2,4-triazole - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available