Compound Identification
SMILES
CCN(CCNCCCNC1=C(C=O)C=C(C=C1)[N+]([O-])=O)C1=CC(=O)N(C)C(=O)N1C
InChIKey
InChIKey=SRSBQSFDAYOEAR-UHFFFAOYSA-N
Formula
C20H28N6O5
Mass
432.481
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrobenzaldehydes
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzaldehydes
Alternative Parents
Aniline and substituted anilines Benzaldehydes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Phenylalkylamines Aminopyrimidines and derivatives Pyrimidones Secondary alkylarylamines Hydropyrimidines Heteroaromatic compounds Vinylogous amides Lactams Ureas Organic oxoazanium compounds Azacyclic compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzaldehyde - Nitroaromatic compound - Benzaldehyde - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Aryl-aldehyde - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Secondary aliphatic amine - Organic oxoazanium - Organic salt - Organonitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
External Descriptors
Not available