Compound Identification
SMILES
COC(=O)C1=CC(=C(NC2=CC=C(Br)C=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=YSYYCJLUZVXJPH-UHFFFAOYSA-N
Formula
C14H10BrN3O6
Mass
396.153
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
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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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
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Nitrobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Primary aromatic amines Aryl bromides Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxoazanium compounds Organic oxides Organic salts Organobromides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Primary aromatic amine - Aryl halide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available