Compound Identification
SMILES
O[N+](O)=O.CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BRZXXQIFADCKAB-UHFFFAOYSA-N
Formula
C13H20N3O7
Mass
330.316
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 Nitroaromatic compounds Benzoyl derivatives Organic nitrates Trialkylamines Organic nitric acids Carboxylic acid esters Amino acids and derivatives Organic oxoazanium compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitrate - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic nitric acid - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organooxygen compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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