Structure Information
Structure

Compound Identification

SMILES

CC1=NN2C(O)=C(SC2=N1)C(N1CCOCC1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=VCGSDOAOPLSYLG-UHFFFAOYSA-N

Formula

C16H17N5O4S

Mass

375.4

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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 - Triazolothiazole - Aralkylamine - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Thiazole - 1,2,4-triazole - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Azacycle - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organic zwitterion - Organic salt - 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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