Compound Identification
SMILES
[O-]C1=CC(C#N)=C(C=C1)[N+]([O-])=O.COC1=CC=C(OP(=O)(OC2=CC=C(OC)C=C2)[N+]2=CC=C(C=C2)C#N)C=C1
InChIKey
InChIKey=PFPLKPBXWQPIOD-UHFFFAOYSA-M
Formula
C27H21N4O8P
Mass
560.459
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
Phenoxy compounds Anisoles Benzonitriles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Phenoxides Pyridinium derivatives Heteroaromatic compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenoxide - Pyridine - Pyridinium - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - 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