Compound Identification
SMILES
OC(=O)C1=CC(=CC(=C1NC1=CC=C(CCCCC2=CC(Cl)=C(Cl)C=C2)C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=DTOSGALOLCEIRX-UHFFFAOYSA-N
Formula
C23H19Cl2N3O6
Mass
504.32
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
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 Benzoic acids Nitrobenzenes Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Primary aromatic amines Aryl chlorides Vinylogous amides Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organooxygen compounds Organic salts Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Primary aromatic amine - Aryl halide - Vinylogous amide - Amino acid - Amino acid or derivatives - 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 - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - 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