Compound Identification
SMILES
OCC(O)CNC(=O)C1=CC(Cl)=C(C=C1[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=XNRJTUMGVOSWJX-UHFFFAOYSA-N
Formula
C10H10ClN3O7
Mass
319.65
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 Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2-diol - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Secondary alcohol - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary alcohol - Organic zwitterion - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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