Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=C2CCCC3C(N(N=C23)C2=NC(=CS2)C2=CC=C(Br)C=C2)C2=CC(=CC=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=OLXHDERNBBFXMA-UHFFFAOYSA-N
Formula
C29H22BrN5O4S
Mass
616.49
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 Nitroaromatic compounds 2,4-disubstituted thiazoles Bromobenzenes Aryl bromides Pyrazolines Heteroaromatic compounds N-alkylated hydrazones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organobromides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl halide - Pyrazoline - Thiazole - Heteroaromatic compound - Azole - Organic nitro compound - N-alkylated hydrazone - C-nitro compound - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic 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