Compound Identification
SMILES
COC1=C(OC)C=C2C(SC(=O)C2=CC2=CC=CC=C2[N+]([O-])=O)=C1
InChIKey
InChIKey=FXMPTCGMAPDKBQ-UHFFFAOYSA-N
Formula
C17H13NO5S
Mass
343.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Anisoles Aryl thioethers Nitroaromatic compounds Alkyl aryl ethers Carbothioic S-lactones Thioesters Propargyl-type 1,3-dipolar organic compounds Organoheterocyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Carbothioic s-lactone - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Ether - Organic oxoazanium - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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