Compound Identification
SMILES
COC1=CC=C(NC2=C(C=C(C=C2[N+]([O-])=O)C(=O)NCCCCCC(O)=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BTQAGXMHSCEQBQ-UHFFFAOYSA-N
Formula
C20H22N4O8
Mass
446.416
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
Aminobenzamides Aminophenyl ethers Benzamides Nitrobenzenes Nitro fatty acids Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Benzoyl derivatives Methoxybenzenes Medium-chain fatty acids Alkyl aryl ethers Primary aromatic amines Secondary carboxylic acid amides Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Aminobenzoic acid or derivatives - Aminobenzamide - Nitrobenzene - Nitro fatty acid - Methoxyaniline - Benzoic acid or derivatives - Benzamide - Aminophenyl ether - Methoxybenzene - Medium-chain fatty acid - Phenol ether - Benzoyl - Anisole - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Fatty acyl - Fatty acid - Primary aromatic amine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic salt - Organic oxygen 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