Compound Identification
SMILES
C[C@@H](N(C)C(=O)C1=C(Br)C=C(F)C=C1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=CHCJPVMVSQYHFM-SNVBAGLBSA-N
Formula
C16H14BrFN2O3
Mass
381.201
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
2-halobenzoic acids and derivatives Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organofluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Vinylogous halide - Amino acid or derivatives - Tertiary amine - Organic nitro compound - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organobromide - Organic cation - 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