Compound Identification
SMILES
CC(=C)C(=O)NCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIKey
InChIKey=GWTPRYVHJTYEPO-UHFFFAOYSA-N
Formula
C13H11F4N5O2
Mass
345.258
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
2-halobenzoic acids and derivatives Benzamides Aryl azides Benzoyl derivatives Fluorobenzenes N-acyl amines Vinylogous halides Organic azides Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aryl azide - Benzamide - Benzoyl - Halobenzene - Fluorobenzene - N-acyl-amine - Vinylogous halide - Organoazide - Organic azide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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