Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC(OCC)=C(O)C(Cl)=C3)C(=O)N2C1C1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KKKOFIHYIASATE-UHFFFAOYSA-N
Formula
C26H24ClN3O7S
Mass
558.0
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
Nitrotoluenes Phenoxy compounds Phenol ethers Nitroaromatic compounds O-chlorophenols Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - 2-chlorophenol - 2-halophenol - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - Toluene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Lactam - Carboxylic acid ester - C-nitro compound - Isothiourea - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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