Compound Identification
SMILES
CCCC1=NC(=NC(C(=O)N2CCN(C(C)C2)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)=C1C(=O)OCC)C1=CC=CC=C1
InChIKey
InChIKey=JRFZBQUDSWSSOY-UHFFFAOYSA-N
Formula
C29H30ClN5O6
Mass
580.04
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
Pyrimidinecarboxylic acids Benzamides Nitrobenzenes 2-heteroaryl carboxamides Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Piperazines Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - 1,4-diazinane - Aryl chloride - Piperazine - Pyrimidine - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic cation - 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