Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)C=CC(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=CCTTZIFSXCDBGE-UHFFFAOYSA-N
Formula
C19H12BrNO4
Mass
398.212
Taxonomic Classification
Taxonomy Tree
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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
Nitrobenzenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Enones Acryloyl compounds Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Aldehydes Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Furan - C-nitro compound - Organic nitro compound - Ketone - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic salt - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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