Compound Identification
SMILES
COC(=O)C#CCNC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=JTMDBQSKOHJPGG-UHFFFAOYSA-N
Formula
C11H10N2O4
Mass
234.211
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
Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Fatty acid esters Ynoate esters Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Fatty acid ester - Secondary aliphatic/aromatic amine - Fatty acyl - Methyl ester - Ynoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organic salt - Hydrocarbon derivative - Organic zwitterion - 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