Compound Identification
SMILES
[Ni++].CC\C(=N/NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC2=C(CC)C(CC)=C([N-]2)C=C2N=C(C=C3[N-]C(=CC(=N1)C(\CC)=N\NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(CC)=C3CC)C(CC)=C2CC
InChIKey
InChIKey=FDOVHRNNJPLIEU-BHKUQVNGSA-N
Formula
C48H52N12NiO8
Mass
983.713
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
Phenylhydrazines Nitroaromatic compounds Substituted pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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