Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=NC(=C(Br)S1)C1=CC=C(CNCC=C)C=C1
InChIKey
InChIKey=BDCUUVJHMVGYBB-UHFFFAOYSA-N
Formula
C19H16BrN3O2S
Mass
430.32
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
2,4,5-trisubstituted thiazoles Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organic oxoazanium - Organic salt - Organic oxygen compound - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic 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