Compound Identification
SMILES
COC(=O)C1=C(C)N=C2SC(=CC3=C(OCC4=CC=C(C=C4)[N+]([O-])=O)C=CC(Br)=C3)C(=O)N2C1C1=CC=CC=C1
InChIKey
InChIKey=CNKMRUWBCPICAU-UHFFFAOYSA-N
Formula
C29H22BrN3O6S
Mass
620.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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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 Bromobenzenes Aryl bromides Thiazoles Enoate esters Heteroaromatic compounds Methyl esters Isothioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Azole - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Isothiourea - Lactam - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - 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