Compound Identification
SMILES
C[C@H](OC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O)C(=O)NC1=C(Cl)C=C(Cl)C=N1
InChIKey
InChIKey=QITRDFIFXLVYLC-ZETCQYMHSA-N
Formula
C15H12Cl2N4O5
Mass
399.18
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
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives N-arylamides Nitroaromatic compounds Polyhalopyridines Imidolactams Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Primary amines Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - N-arylamide - Polyhalopyridine - Aniline or substituted anilines - Benzoyl - Pyridine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available