Compound Identification
SMILES
CCCOC(=O)C1=CC(=C(Br)C=C1C)[N+]([O-])=O
InChIKey
InChIKey=SJXKWHZPSANABL-UHFFFAOYSA-N
Formula
C11H12BrNO4
Mass
302.124
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
4-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organobromides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available