Compound Identification
SMILES
CC1=C(C=NC(CO)C(O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(=C1)N(CCCl)CCCl
InChIKey
InChIKey=QOCMYQOZBNKLBE-UHFFFAOYSA-N
Formula
C21H25Cl2N3O4
Mass
454.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aminotoluenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Nitrogen mustard compounds Shiff bases Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organochlorides Hydrocarbon derivatives Organopnictogen compounds Aromatic alcohols Primary alcohols Alkyl chlorides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Nitroaromatic compound - Toluene - Organic nitro compound - C-nitro compound - Secondary alcohol - Shiff base - Tertiary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Aldimine - Organic oxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Alcohol - Organic nitrogen compound - Alkyl halide - Imine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available