Structure Information
Structure

Compound Identification

SMILES

CC1=C([C@@H](N2C(=S)NC(=O)C=C2N1)C1=CC=CC=C1[N+]([O-])=O)C(=O)OC[C@@H]1CCCO1

InChIKey

InChIKey=NFCFJIGYTLIIAL-SGTLLEGYSA-N

Formula

C20H20N4O6S

Mass

444.46

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Oxolane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Lactam - C-nitro compound - Thiourea - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Enamine - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Amine - 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

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