Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(\Br)=C1/OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=XNLIZJPSVSOMQT-BUHFOSPRSA-N
Formula
C15H8BrNO4
Mass
346.136
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
- Subclass Isobenzofuranones
-
Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Isobenzofuranones
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Enol esters Lactones Bromoalkenes Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Enol ester - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Bromoalkene - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.
External Descriptors
Not available