Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=N\C(=C\C2=CC=C(O2)C2=CC=C(Br)C=C2)C(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=ZJUGDFDTRUEBBD-LFIBNONCSA-N
Formula
C21H13BrN2O6
Mass
469.247
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds 4-Hydrocarbylideneazlactones Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Methoxyaniline - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Bromobenzene - 4-hydrocarbylideneazlactone - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxazoline - Organic nitro compound - C-nitro compound - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic cation - 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