Compound Identification
SMILES
COC1=CC=C(NC2=NC(NN=CC3=CC=CC=C3[N+]([O-])=O)=NC(=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=BKEKMMJIIDHJEB-UHFFFAOYSA-N
Formula
C21H22N8O4
Mass
450.459
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
Methoxyanilines 1,3,5-triazine-2,4-diamines Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers 1,3,5-triazines Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrazones Organic oxoazanium compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - 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 - Morpholine - Oxazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Organic oxygen compound - Organic zwitterion - Organic oxide - 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