Compound Identification
SMILES
CNC1=C(C=C(C=C1[N+]([O-])=O)C([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CEJSJXWFXSXWCA-UHFFFAOYSA-M
Formula
C8H6N3O6
Mass
240.152
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
Nitrobenzoic acids and derivatives Aminobenzoic acids Benzoic acids Nitrobenzenes Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Amino acids Carboxylic acid salts Carboxylic acids Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organic nitro compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - C-nitro compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - 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