Compound Identification
SMILES
COC1OC(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2OC12
InChIKey
InChIKey=QQJDGDHKWDVQPR-UHFFFAOYSA-N
Formula
C13H13NO7
Mass
295.247
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 1,4-dioxanes Monosaccharides Tetrahydrofurans Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Para-dioxane - Monosaccharide - Tetrahydrofuran - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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