Compound Identification
SMILES
OCCNC1=CC(NC(=O)CC#N)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QVPBOQFUYFOAFY-UHFFFAOYSA-N
Formula
C11H12N4O4
Mass
264.241
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Anilides Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds N-arylamides Secondary alkylarylamines Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - N-arylamide - Secondary aliphatic/aromatic amine - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic salt - Carbonyl group - Cyanide - Organic zwitterion - Alcohol - 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