Compound Identification
SMILES
CC1=C(N=NC2=CC=C(C=C2C#N)N(=O)=O)C(NC(NCCO)=C1C#N)=NCCCOCCOC1=CC=CC=C1
InChIKey
InChIKey=DVEIMOJTBVDUFY-UHFFFAOYSA-N
Formula
C27H28N8O5
Mass
544.572
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 Benzonitriles 3-pyridinecarbonitriles Secondary alkylarylamines Methylpyridines Dihydropyridines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkyl ethers Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - 3-pyridinecarbonitrile - Phenol ether - Benzonitrile - Methylpyridine - Secondary aliphatic/aromatic amine - Dihydropyridine - Aminopyridine - Alkyl aryl ether - Imidolactam - Pyridine - Hydropyridine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Nitrile - Carbonitrile - Ether - Dialkyl ether - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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