Compound Identification
SMILES
OC(=O)C1=CC(=CC(=C1NC1=CC(Cl)=CC=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=ZQJNYYMTBCFQLJ-UHFFFAOYSA-N
Formula
C13H8ClN3O6
Mass
337.67
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 Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes 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 - Benzoic acid - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Primary aromatic amine - Aryl halide - Vinylogous amide - Organic nitro compound - Amino acid - C-nitro compound - Amino acid or derivatives - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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