Compound Identification
SMILES
OCC(NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=SBQZBOCQYMVLTC-UHFFFAOYSA-N
Formula
C9H9N3O7
Mass
271.185
Taxonomic Classification
Taxonomy Tree
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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
Serine and derivatives Alpha amino acids Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Beta hydroxy acids and derivatives Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Serine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Hydroxy acid - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Carbonyl group - 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
CHEBI:53083 : C-nitro compound - non-proteinogenic alpha-amino acid - serine derivative