Compound Identification
SMILES
OC(=O)CCCCCNC(=O)C1=CC(=C(NC2=CC=CC=C2Cl)C(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=PDBGHYAQPDVOPW-UHFFFAOYSA-N
Formula
C19H19ClN4O7
Mass
450.83
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
Aminobenzamides Nitrobenzenes Benzamides Benzoyl derivatives Medium-chain fatty acids Nitroaromatic compounds Halogenated fatty acids Chlorobenzenes Aryl chlorides Primary aromatic amines Secondary carboxylic acid amides Amino acids Organic oxoazanium compounds Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Aminobenzamide - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Nitroaromatic compound - Benzoyl - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Fatty acyl - Fatty acid - Primary aromatic amine - Aryl halide - Amino acid - Amino acid or derivatives - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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