Compound Identification
SMILES
CCO[C@H]1CC(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C2=CC=CC=C2[C@]1(O)C=O
InChIKey
InChIKey=LHIVPMRGNQGTCM-NGFYBIIMSA-N
Formula
C19H19N3O7
Mass
401.375
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
Tetralins Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Tertiary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Dinitroaniline - Tetralin - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Tertiary alcohol - Organic nitro compound - C-nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic salt - Alcohol - Organic zwitterion - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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