Compound Identification
SMILES
CC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(=O)NCCCCCC(O)=O)[N+]([O-])=O
InChIKey
InChIKey=ICYOHPGKBZBGKG-UHFFFAOYSA-N
Formula
C16H22N4O7
Mass
382.373
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
Phenylisopropylamines Aminobenzamides Benzamides Nitrobenzenes Nitro fatty acids Benzoyl derivatives Medium-chain fatty acids Nitroaromatic compounds Secondary alkylarylamines Secondary carboxylic acid amides Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Phenylisopropylamine - Aminobenzamide - Aminobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitro fatty acid - Nitroaromatic compound - Medium-chain fatty acid - Phenylalkylamine - Benzoyl - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty acid - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Amine - Organonitrogen compound - Organooxygen 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