Compound Identification
SMILES
CCC1=CC=C(OCC(=O)N\N=C\C2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=MQIYOYBJVQGJTC-LPYMAVHISA-N
Formula
C21H19N3O5
Mass
393.399
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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