Compound Identification
SMILES
COC1=C(OC(=O)COC2=C(Br)C=C(C=C2)C2=CC=CC=C2)C=CC(C=C(C#N)C(=O)NCC=C)=C1
InChIKey
InChIKey=MGHSURFIBTWGQV-UHFFFAOYSA-N
Formula
C28H23BrN2O5
Mass
547.405
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Brominated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Brominated biphenyls
Alternative Parents
Cinnamic acid amides Phenoxyacetic acid derivatives Phenol esters Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Secondary carboxylic acid amides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Brominated biphenyl - Cinnamic acid amide - Cinnamic acid or derivatives - Phenoxyacetate - Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
External Descriptors
Not available