Compound Identification
SMILES
CC1(C)C(=O)O[C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C2(CCCC2)C1=O
InChIKey
InChIKey=OJEBFVXHSVXQGJ-ZDUSSCGKSA-N
Formula
C17H19NO5
Mass
317.341
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
Nitroaromatic compounds Delta valerolactones Oxanes Ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Delta valerolactone - Delta_valerolactone - Oxane - Carboxylic acid ester - Ketone - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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