Compound Identification
SMILES
NC(=O)N1[C@H]2[C@H](CCCCN2C(=O)C=C1c1ccncn1)OC(=O)c1cc(Cl)cc2CCOc12
InChIKey
InChIKey=RSNODOKDANKQDQ-RXVVDRJESA-N
Formula
C23H22ClN5O5
Mass
483.91
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
3-halobenzoic acids and derivatives
Alternative Parents
Coumarans Alkyl aryl ethers Azepanes Aryl chlorides Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Coumaran - Alkyl aryl ether - Azepane - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - 1,2,3,4-tetrahydropyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Urea - Lactam - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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