Compound Identification
SMILES
CC1=CC(=CC(C)=C1OCC(=O)N\N=C\C1=C(OC(=O)C2=CC=CO2)C=CC(Br)=C1)[N+]([O-])=O
InChIKey
InChIKey=ZHRAXSIHIINFTF-BHGWPJFGSA-N
Formula
C22H18BrN3O7
Mass
516.304
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
Phenol esters Furoic acid esters Nitrotoluenes m-Xylenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organobromides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenol ester - Furoic acid ester - Nitrotoluene - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organic salt - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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