Compound Identification
SMILES
CCOC1=CC=C(NC(=O)CCC(=O)NNC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=SERAVGJEVPENIR-UHFFFAOYSA-N
Formula
C19H19ClN4O6
Mass
434.83
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
4-halobenzoic acids and derivatives
Alternative Parents
Anilides Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Fatty amides Secondary carboxylic acid amides Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Carbonyl compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Anilide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Fatty acyl - Fatty amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available