Compound Identification
SMILES
CN1C(C)=NC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3)=C(C=C12)[N+]([O-])=O
InChIKey
InChIKey=FIABOHGSEUXCDO-UHFFFAOYSA-N
Formula
C16H12Cl2N4O3
Mass
379.2
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
Benzamides Benzimidazoles Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Benzamide - 1,3-dichlorobenzene - Benzoyl - Nitroaromatic compound - Chlorobenzene - Halobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - 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 - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen 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