Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

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

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