Compound Identification
SMILES
OC(=O)CCCCCNC(=O)C1=CC(=C(Br)C(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=LDRLGKRGWDTZAO-UHFFFAOYSA-N
Formula
C13H14BrN3O7
Mass
404.173
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Medium-chain fatty acids Nitroaromatic compounds Bromobenzenes Halogenated fatty acids Aryl bromides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organobromides Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Medium-chain fatty acid - Nitroaromatic compound - Benzoyl - Halobenzene - Halogenated fatty acid - Bromobenzene - Aryl halide - Aryl bromide - Fatty acid - Fatty acyl - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available