Compound Identification
SMILES
COC1=CC=C(CN2C(=O)C(C)SC2=NN=CC2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=NLGUWFXQBPUYAE-UHFFFAOYSA-N
Formula
C19H18N4O4S
Mass
398.44
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
Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Thiazolidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidine - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - 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