Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1\C=C\C=C(/C#N)C(=O)NC[C@H]1CCCO1
InChIKey
InChIKey=CGVLWUOUEXMGKP-LRQGOLEJSA-N
Formula
C17H17N3O4
Mass
327.34
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
Styrenes Nitroaromatic compounds N-acyl amines Oxolanes Secondary carboxylic acid amides Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Nitriles Oxacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Styrene - N-acyl-amine - Oxolane - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Carbonyl group - Organopnictogen compound - Organic salt - Cyanide - Aromatic heteromonocyclic 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