Compound Identification
SMILES
CCOC(=O)C1=C[C@@H](CC)C2=CC(N(Cl)C3=CC=CC=C3)=C(C=C2C1=O)[N+]([O-])=O
InChIKey
InChIKey=BELOVWWNOIVTOR-CYBMUJFWSA-N
Formula
C21H19ClN2O5
Mass
414.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Nitronaphthalenes
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Nitronaphthalenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitronaphthalenes
Alternative Parents
Naphthalenecarboxylic acids Nitroaromatic compounds Aryl ketones Benzene and substituted derivatives Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-nitronaphthalene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Nitroaromatic compound - Aryl ketone - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Carboxylic acid ester - Ketone - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors
Not available