Compound Identification
SMILES
CCC(C)(C)C1=CC(=C(OCCCC(=O)OCC(=O)NC2=C(Br)C=C(C=C2)[N+]([O-])=O)C=C1)C(C)(C)CC
InChIKey
InChIKey=YXRQQBXGTAZICU-UHFFFAOYSA-N
Formula
C28H37BrN2O6
Mass
577.516
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Anilides Phenylpropanes Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Fatty acid esters Aryl bromides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Nitrobenzene - Anilide - Phenol ether - Phenoxy compound - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - Fatty acid ester - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Fatty acyl - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Carboxamide group - Organic nitro compound - Ether - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available