Compound Identification
SMILES
COC1=C(C=CC(C)=C1)C(=O)N\N=C\C1=CC=C(O1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=PLYLLBJSHOWTLT-CIAFOILYSA-N
Formula
C20H17N3O5
Mass
379.372
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
p-Toluamides Benzoic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Heteroaromatic compound - Furan - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Oxacycle - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - 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