Compound Identification
SMILES
CC1=NN(CC2=NOC(=N2)C(=O)NCCNC(=O)C2=CC=CC=C2Br)C(C)=C1Cl
InChIKey
InChIKey=YCECTTJPYJZGOL-UHFFFAOYSA-N
Formula
C18H18BrClN6O3
Mass
481.74
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Bromobenzenes N-acyl amines Vinylogous halides Heteroaromatic compounds 1,2,4-oxadiazoles Vinyl chlorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrazones Chloroalkenes Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Bromobenzene - N-acyl-amine - Heteroaromatic compound - Vinylogous halide - Oxadiazole - Azole - 1,2,4-oxadiazole - Carboxamide group - Oxacycle - Azacycle - Chloroalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Vinyl bromide - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available