Compound Identification
SMILES
COC(=O)C1=CC(=CC(OC)=C1O)[N+]([O-])=O
InChIKey
InChIKey=VXTDGDVHINDLCV-UHFFFAOYSA-N
Formula
C9H9NO6
Mass
227.172
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
o-Hydroxybenzoic acid esters M-methoxybenzoic acids and derivatives Nitrophenyl ethers Salicylic acid and derivatives Methoxyphenols Nitrophenols Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Vinylogous acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - M-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Nitrophenyl ether - Benzoate ester - Methoxyphenol - Nitrophenol - Salicylic acid or derivatives - Methoxyaniline - Nitrobenzene - Methoxybenzene - Nitroaromatic compound - Benzoyl - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - Vinylogous acid - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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