Compound Identification
SMILES
CC1(C)C2CCC1(C)C(C2)=NOC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=IAJMWDAKLOKCAX-UHFFFAOYSA-N
Formula
C17H20N2O4
Mass
316.357
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Bicyclic monoterpenoids Aromatic monoterpenoids Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Oxime esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Aromatic monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Norbornane monoterpenoid - Monoterpenoid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Oximester - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available