Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)N1CCN=C1C)[N+]([O-])=O
InChIKey
InChIKey=RRTSSGVMNSWVHB-UHFFFAOYSA-N
Formula
C13H13N3O5
Mass
291.263
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
Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Imidazolines Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Carboximidamides Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-imidazoline - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Carboximidamide - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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