Compound Identification
SMILES
CC(=O)C(=C(\C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)\C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=TWYMNMMKGZRNSY-SFQUDFHCSA-N
Formula
C19H14N2O8
Mass
398.327
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
Butyrophenones Benzoic acid esters Nitrobenzenes Aryl ketones Nitroaromatic compounds Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Enol esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Butyrophenone - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enol ester - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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