Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=C(OCCCCBr)C=CC(=C1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=SNKPEWCMRQOLAU-UHFFFAOYSA-N
Formula
C21H25BrN2O7
Mass
497.342
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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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
Nitrophenyl ethers
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Alkyl bromides Organobromides Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Enamine - Ether - Azacycle - Organic oxoazanium - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Alkyl bromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available