Compound Identification
SMILES
CC1=CC(OCC(=O)NNC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C(C)C=C1
InChIKey
InChIKey=NAMJSHDXWMLFOR-UHFFFAOYSA-N
Formula
C17H16ClN3O5
Mass
377.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes p-Xylenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - P-xylene - Xylene - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available