Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2[N+]([O-])=O)C=CC(C=NNC2=NC(=NC(NC3=CC=CC=C3)=N2)N2CCCCC2)=C1
InChIKey
InChIKey=NBJLSZRBMPEEGL-UHFFFAOYSA-N
Formula
C29H30N8O4
Mass
554.611
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Nitrobenzenes
Alternative Parents
1,3,5-triazine-2,4-diamines Phenoxy compounds Aniline and substituted anilines Anisoles Nitroaromatic compounds Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Piperidines 1,3,5-triazines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrazones Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Dialkylarylamine - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Triazine - Piperidine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Amine - 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