Compound Identification
SMILES
CC(C)OC(=O)C1=C(C)N=C2SC(=CC3=CC(=C(Br)C=C3)[N+]([O-])=O)C(=O)N2C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=AOTUZNBGGKZLED-UHFFFAOYSA-N
Formula
C24H19BrClN3O5S
Mass
576.85
Taxonomic Classification
Taxonomy Tree
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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
Nitroaromatic compounds Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thiazoles Enoate esters Heteroaromatic compounds Isothioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organic zwitterions Organobromides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Halobenzene - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Azole - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Lactam - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen 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