Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCCOC1=NO[N+]([O-])=C1S(=O)(=O)C1=CC=CC=C1

InChIKey

InChIKey=ZCGOVQSPXMUPAB-UHFFFAOYSA-N

Formula

C27H26N4O11S

Mass

614.58

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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 - Benzenesulfonyl group - Nitroaromatic compound - Alkyl aryl ether - Dihydropyridine - Hydropyridine - Furoxan - Dicarboxylic acid or derivatives - Furazan - Methyl ester - Vinylogous amide - Sulfonyl - Azole - Oxadiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Sulfone - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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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