Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=C(Cl)C=CC(Cl)=C3)C(=O)N2C1C1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=YGJZZFMOGMWOHX-UHFFFAOYSA-N
Formula
C28H21Cl2N3O6S
Mass
598.45
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 Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Thiazoles Enoate esters Furans Heteroaromatic compounds Lactams Isothioureas Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - 1,4-dichlorobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Organic nitro compound - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - 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 - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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