Compound Identification
SMILES
OC1(CC(C2=CC(=CC=C2)[N+]([O-])=O)C(C#N)(C(C1C(=O)C1=CC=CC=C1)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC(Cl)=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=LGAZEGMTAMZIJR-UHFFFAOYSA-N
Formula
C38H28ClN3O6
Mass
658.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Dibenzylbutane lignans Stilbenes Alkyl-phenylketones Aromatic monoterpenoids Monocyclic monoterpenoids Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Cyclohexanols Aryl chlorides Tertiary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic zwitterions Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Dibenzylbutane lignan skeleton - Stilbene - Alkyl-phenylketone - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Nitrobenzene - Phenylketone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Chlorobenzene - Cyclohexanol - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Tertiary alcohol - Cyclic alcohol - C-nitro compound - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonitrile - Nitrile - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available