Compound Identification
SMILES
NC(O)=O.CC(C)N(CCC1=NC(=O)ON1)C(=O)C1=CC(OCCNC2=CC=NC=C2)=CC(Cl)=C1
InChIKey
InChIKey=SUNLLQHOOJKMTO-UHFFFAOYSA-N
Formula
C22H27ClN6O6
Mass
506.94
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 Phenoxy compounds Phenol ethers Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides 1,2,4-oxadiazoles Heteroaromatic compounds Carbamic acids Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Not available
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary amine - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Organonitrogen 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