Compound Identification
SMILES
NC(CSCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=JGLSGIMDHOAABX-UHFFFAOYSA-N
Formula
C11H14N4O6S
Mass
330.32
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
Cysteine and derivatives Alpha amino acids Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Amino acid or derivatives - C-nitro compound - Amino acid - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Dialkylthioether - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Primary aliphatic amine - Amine - Organic oxide - 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