Compound Identification
SMILES
CC1=CC(OCC(=O)NCCNC2=CC=CC=C2[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=UPMCUTRXOPTJKW-UHFFFAOYSA-N
Formula
C17H18ClN3O4
Mass
363.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Aniline and substituted anilines Nitroaromatic compounds Phenol ethers Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Toluenes Chlorobenzenes Secondary alkylarylamines Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl chloride - Aryl halide - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available