Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NC2=C(C=CC=C2[N+]([O-])=O)[N+]([O-])=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FQJQUPMBCPEBJW-UHFFFAOYSA-N
Formula
C12H7N5O8
Mass
349.215
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
-
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
Nitrobenzenes Nitroaromatic compounds Primary aromatic amines Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Primary aromatic amine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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