Compound Identification
SMILES
COC1=C(NC2=C(C=C(C=C2[N+]([O-])=O)S(O)(=O)=O)[N+]([O-])=O)C=CC(N)=C1
InChIKey
InChIKey=CTBCKMCULIIQJV-UHFFFAOYSA-N
Formula
C13H12N4O8S
Mass
384.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Nitrobenzenes Nitroaromatic compounds Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Primary aromatic amines Sulfonyls Organosulfonic acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Benzenesulfonate - Aminophenyl ether - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic salt - Organic zwitterion - Organic nitrogen compound - Amine - 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