Compound Identification
SMILES
CN1C2=C(C(=C(NC3CCCCC3)O2)C2=CC=CC=C2[N+]([O-])=O)C(=O)N(C)C1=O
InChIKey
InChIKey=PWSQYZVOPGBXKY-UHFFFAOYSA-N
Formula
C20H22N4O5
Mass
398.419
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
Furo[2,3-d]pyrimidines Nitroaromatic compounds Pyrimidones Vinylogous amides Furans Heteroaromatic compounds Ureas Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic salts Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furo[2,3-d]pyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Pyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Organic salt - Aromatic heteropolycyclic 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