Compound Identification
SMILES
COC1=C(OC(C)=O)C=CC(C=NNC(=O)COC2=C(Br)C=C(C=C2)[N+]([O-])=O)=C1[N+]([O-])=O
InChIKey
InChIKey=MJQZITPADPUTRI-UHFFFAOYSA-N
Formula
C18H15BrN4O9
Mass
511.241
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 Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Phenol ester - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic zwitterion - Aromatic homomonocyclic 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