Compound Identification
SMILES
COC1=CC=C(NC2=NC(NCC3=CC=CO3)=NC(N\N=C\C3=CC=C(O3)C3=CC=CC=C3[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=CYKQRJSFDZAZDM-LQKURTRISA-N
Formula
C26H22N8O5
Mass
526.513
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 Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers N-aliphatic s-triazines 1,3,5-triazines Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Amines 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 - Aniline or substituted anilines - Anisole - Methoxybenzene - N-aliphatic s-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Ether - Oxacycle - 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 - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Amine - Organic zwitterion - Organic oxygen compound - 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