Compound Identification
SMILES
OC(=O)COCCOCCNC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F
InChIKey
InChIKey=SRPUVUGFIJXTIL-UHFFFAOYSA-N
Formula
C13H12F4N4O5
Mass
380.256
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 Vinyl fluorides Monocarboxylic acids and derivatives Fluoroalkenes Dialkyl ethers Carboxylic acids Carboxylic acid amides Organopnictogen 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 - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - 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