Compound Identification
SMILES
COC1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C(C=C(C#N)C(N)=S)=C1
InChIKey
InChIKey=BWPUSNNPOGJKIK-UHFFFAOYSA-N
Formula
C18H14BrN3O4S
Mass
448.29
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
Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Thioamides Thiocarboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Thiocarbonyl compounds Organic salts Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anisole - Phenol ether - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Thioamide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Thiocarboxylic acid amide - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Organic zwitterion - Organic salt - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic 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