Compound Identification
SMILES
CNC1=C(C(=O)C(O1)C1=CC=CC=C1[N+]([O-])=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=XJYQXDRPQWXQAE-UHFFFAOYSA-N
Formula
C17H13BrN2O4
Mass
389.205
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
Nitroaromatic compounds Bromobenzenes Aryl bromides Furanones Vinylogous esters Vinylogous amides Cyclic ketones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 3-furanone - Dihydrofuran - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Amine - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - 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