Compound Identification
SMILES
OCCNC1=C(C=C(C=C1)C(OC(C(O)CO)C1=CC(=C(NCCO)C=C1)[N+]([O-])=O)C(O)CO)[N+]([O-])=O
InChIKey
InChIKey=LYZFYCRTBNTMEZ-UHFFFAOYSA-N
Formula
C22H30N4O11
Mass
526.499
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
Benzylethers Phenylalkylamines Nitroaromatic compounds Aniline and substituted anilines Secondary alkylarylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzylether - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organic nitro compound - C-nitro compound - Secondary alcohol - 1,2-aminoalcohol - Alkanolamine - Dialkyl ether - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organooxygen compound - Primary alcohol - Organic salt - Organic nitrogen compound - Organic zwitterion - Alcohol - Hydrocarbon derivative - 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