Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC2=NC(N\N=C/C3=CC=C(O3)C3=CC=C(Cl)C=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1

InChIKey

InChIKey=VUMSSYQFPRKRNT-MWLSYYOVSA-N

Formula

C27H21ClN8O4

Mass

556.97

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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

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Methoxyaniline - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Nitroaromatic compound - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Halobenzene - Aminotriazine - Chlorobenzene - Aryl chloride - 1,3,5-triazine - Triazine - Aryl halide - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Hydrazone - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organohalogen compound - Organic zwitterion - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - 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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