Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=C(S)C=CC(Cl)=C2Cl)C(=C(Br)C=C1Br)[N+]([O-])=O
InChIKey
InChIKey=XAOPEVPTXKHDRT-UHFFFAOYSA-N
Formula
C12H5Br2Cl2N3O4S
Mass
517.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Nitrobenzenes Thiophenols Dichlorobenzenes Nitroaromatic compounds Bromobenzenes Aryl bromides Aryl chlorides Primary aromatic amines Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organobromides Hydrocarbon derivatives Organochlorides Organic oxides Thiols Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Thiophenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Primary aromatic amine - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Arylthiol - Secondary amine - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Organic salt - Organobromide - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - 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