Compound Identification
SMILES
OC(=O)C1=CC=CC=C1NC(=O)C(=C\C1=CC=C(O1)C1=C(Cl)C=CC(=C1)[N+]([O-])=O)\C#N
InChIKey
InChIKey=MLHYMIKCHGPWBX-FMIVXFBMSA-N
Formula
C21H12ClN3O6
Mass
437.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Anilides Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Chlorobenzenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Organic oxoazanium compounds Nitriles Organochlorides Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organohalogen compound - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available