Compound Identification
SMILES
CCC(N(CC[N+](C)(C)[O-])C(=O)C1=CC=C(Br)C=C1)C1=NC=C(C2CC2)C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=GFBVVARAJOENKE-UHFFFAOYSA-N
Formula
C28H33BrN4O3
Mass
553.501
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 Benzoyl derivatives Pyrimidones Bromobenzenes Aryl bromides Hydropyrimidines Trialkyl amine oxides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Trisubstituted amine oxides and derivatives Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Pyrimidone - Bromobenzene - Aryl bromide - Hydropyrimidine - Pyrimidine - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Trialkyl amine oxide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - N-oxide - Trisubstituted n-oxide - 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 heteromonocyclic 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