Compound Identification
SMILES
CCN(CC)CCNC(=O)C1=CC(Br)=C(NC2=NCC(C)N2)C=C1OC
InChIKey
InChIKey=JXNTXSYWGOFEOU-UHFFFAOYSA-N
Formula
C18H28BrN5O2
Mass
426.359
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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Methoxyanilines Benzoyl derivatives Anisoles Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Imidazolines Guanidines Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Methoxyaniline - Benzamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - 2-imidazoline - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Guanidine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available