Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC=CN2C1C1=CC(Cl)=C(OCC2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=VFWIUJOFMPREDU-UHFFFAOYSA-N
Formula
C23H20ClN3O5S
Mass
485.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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 Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Hydropyrimidines Thiazolines Enoate esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Hydrocarbon derivatives Organochlorides Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - 1,6-dihydropyrimidine - Hydropyrimidine - Alpha,beta-unsaturated carboxylic ester - Meta-thiazoline - Enoate ester - Isothiourea - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Azacycle - Enamine - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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