Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1NC1=CC=CC=C1Cl)[N+]([O-])=O)C(=O)N1C=NC2=CC=CC=C12
InChIKey
InChIKey=AUIXAWOTPGQMRJ-UHFFFAOYSA-N
Formula
C20H12ClN5O5
Mass
437.8
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
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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
Aminobenzoic acids and derivatives Benzimidazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Carbonylimidazoles Chlorobenzenes N-acylimidazoles Aryl chlorides Primary aromatic amines Heteroaromatic compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitroaniline - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzimidazole - Nitroaromatic compound - Benzoyl - N-acylimidazole - Halobenzene - Chlorobenzene - Imidazole-1-carbonyl group - Aryl chloride - N-substituted imidazole - Primary aromatic amine - Aryl halide - Imidazole - Azole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Amine - Organochloride - Aromatic heteropolycyclic 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