Compound Identification
SMILES
CCOC(SCC)[C@@H]1C[C@@H](O)CN1C(=O)C1=CC(OC)=C(OCCCBr)C=C1[N+]([O-])=O
InChIKey
InChIKey=QOKKRRYUSYPKOX-YDCKXFNSSA-N
Formula
C20H29BrN2O7S
Mass
521.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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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
Benzamides Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes N-acylpyrrolidines Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Monothioacetals Secondary alcohols Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organobromides Organonitrogen compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Benzoic acid or derivatives - Benzamide - Phenol ether - N-acylpyrrolidine - Methoxybenzene - Benzoyl - Phenoxy compound - Nitroaromatic compound - Anisole - Alkyl aryl ether - Pyrrolidine - Tertiary carboxylic acid amide - Monothioacetal - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organic salt - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic zwitterion - Alcohol - 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