Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)C(=CC1=CC=C(O1)N1CCCCCC1)C#N
InChIKey
InChIKey=YEZVTQHUBMALPT-UHFFFAOYSA-N
Formula
C20H19N3O4
Mass
365.389
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
Aryl ketones Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Azepanes Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Furans Heteroaromatic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Nitriles Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Aryl ketone - Azepane - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Furan - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aromatic heteromonocyclic 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