Compound Identification
SMILES
CC1=CC(NOC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C(Br)C(Br)C1=O
InChIKey
InChIKey=PXBHJTBUOIUQHG-UHFFFAOYSA-N
Formula
C14H10Br2N2O5
Mass
446.051
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alpha-haloketones Cyclic ketones Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Alkyl bromides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrobenzene - Benzoyl - Nitroaromatic compound - Alpha-haloketone - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Carboxylic acid derivative - Bromoalkene - Organic oxoazanium - Vinyl bromide - Vinyl halide - Haloalkene - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl bromide - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - 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