Compound Identification
SMILES
COC(=O)C(NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=CC1=CC=CC=C1
InChIKey
InChIKey=IPEHAWJSDTZCTN-UHFFFAOYSA-N
Formula
C16H13N3O6
Mass
343.295
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
Cinnamic acid esters Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Fatty acid esters Enoate esters Methyl esters Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Enamine - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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